N'-(1H-indol-3-ylmethylene)-2-thiophenecarbohydrazide
PubChem CID
135520251
Structure
Molecular Formula
Synonyms
- 113143-13-8
- FGF22-IN-1
- WAY-348941
- N'-(1H-indol-3-ylmethylene)-2-thiophenecarbohydrazide
- N'-((1H-Indol-3-yl)methylene)thiophene-2-carbohydrazide
Molecular Weight
269.32 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Dates
- Create:2019-01-15
- Modify:2024-12-21
Chemical Structure Depiction
N-[(E)-1H-indol-3-ylmethylideneamino]thiophene-2-carboxamide
Computed by Lexichem TK 2.7.0 (PubChem release 2021.05.07)
InChI=1S/C14H11N3OS/c18-14(13-6-3-7-19-13)17-16-9-10-8-15-12-5-2-1-4-11(10)12/h1-9,15H,(H,17,18)/b16-9+
Computed by InChI 1.0.6 (PubChem release 2021.05.07)
FMKAYIUNMIHSEK-CXUHLZMHSA-N
Computed by InChI 1.0.6 (PubChem release 2021.05.07)
C1=CC=C2C(=C1)C(=CN2)/C=N/NC(=O)C3=CC=CS3
Computed by OEChem 2.3.0 (PubChem release 2021.05.07)
C14H11N3OS
Computed by PubChem 2.1 (PubChem release 2021.05.07)
- 113143-13-8
- FGF22-IN-1
- WAY-348941
- N'-(1H-indol-3-ylmethylene)-2-thiophenecarbohydrazide
- N'-((1H-Indol-3-yl)methylene)thiophene-2-carbohydrazide
- MLS-0454610.0002
- MLS000769938
- CHEMBL3188020
- BDBM84056
- cid_5403822
- STK029655
- AKOS001133365
- NCGC00328870-01
- AS-85246
- DA-53172
- SMR000434671
- HY-148432
- CS-0626387
- AB01322458-02
- BRD-K32909975-001-03-4
- Z49684497
- N''-[(Z)-3-indolylidenemethyl]-2-thiophenecarbohydrazide
- N''-[(Z)-indol-3-ylidenemethyl]thiophene-2-carbohydrazide
- (E)-N'-((1H-Indol-3-yl)methylene)thiophene-2-carbohydrazide
- N'-[(E)-1H-indol-3-ylmethylidene]thiophene-2-carbohydrazide
- Thiophene-2-carboxylic acid [1-(1H-indol-3-yl)-meth-(E)-ylidene]-hydrazide
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
269.32 g/mol
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
XLogP3-AA
Property Value
3
Reference
Computed by XLogP3 3.0 (PubChem release 2021.05.07)
Property Name
Hydrogen Bond Donor Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Rotatable Bond Count
Property Value
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Exact Mass
Property Value
269.06228316 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Monoisotopic Mass
Property Value
269.06228316 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Topological Polar Surface Area
Property Value
85.5Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Heavy Atom Count
Property Value
19
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
361
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
1
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2019.01.04)
0.8 [ug/mL] (The mean of the results at pH 7.4)
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Same Connectivity Count
Same Parent, Connectivity Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
- Burnham Center for Chemical Genomics
- ChEMBLLICENSEAccess to the web interface of ChEMBL is made under the EBI's Terms of Use (http://www.ebi.ac.uk/Information/termsofuse.html). The ChEMBL data is made available on a Creative Commons Attribution-Share Alike 3.0 Unported License (http://creativecommons.org/licenses/by-sa/3.0/).http://www.ebi.ac.uk/Information/termsofuse.html
- PubChem
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
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