CID 24251787
PubChem CID
24251787
Structure
Molecular Formula
Status
Non-live
Molecular Weight
288.33 g/mol
Dates
- Create:2008-02-29
Chemical Structure Depiction
1-[3-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-6-yl]ethanamine
InChI=1S/C13H12N4O2S/c1-8(14)11-6-16-12(7-20-13(16)15-11)9-2-4-10(5-3-9)17(18)19/h2-8H,14H2,1H3
WSKRKUJPHXRSCE-UHFFFAOYSA-N
CC(C1=CN2C(=CSC2=N1)C3=CC=C(C=C3)[N+](=O)[O-])N
C13H12N4O2S
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
288.33 g/mol
Property Name
XLogP3-AA
Property Value
2.6
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Property Name
Rotatable Bond Count
Property Value
2
Property Name
Exact Mass
Property Value
288.06809681 g/mol
Property Name
Monoisotopic Mass
Property Value
288.06809681 g/mol
Property Name
Topological Polar Surface Area
Property Value
117 A^2
Property Name
Heavy Atom Count
Property Value
20
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
370
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
Property Name
Undefined Atom Stereocenter Count
Property Value
1
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
Old substance
Old substance
CONTENTS