53347962
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4.3907
2.1045
2.9016
9.5176
5.8688
4.4839
9.5176
8.5714
10.1013
8.5714
7.7054
6.8394
7.7054
6.8394
5.9734
5.0598
4.8907
3.4894
3.0827
3.5827
2.9136
2
9.2666
10.055
10.5621
10.5621
9.7102
7.7054
7.7054
6.3024
4.9309
4.8484
4.1993
3.0424
1.4631
0.8382
-2.1674
-0.2369
2.9793
0.1801
-0.9414
1.3698
1.6746
2.1746
2.6746
1.1746
1.6746
3.1746
2.6746
1.1746
1.5813
-0.0278
-1.0459
-1.9595
-2.8255
-3.5686
-3.1619
0.8029
1.0606
1.7599
2.5893
3.5686
0.5546
3.7946
2.9846
2.1878
-1.443
-2.8903
-4.1751
-3.4719
8
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0
Compound
Canonicalized
5
2011.09.13
1
Compound Complexity
7
E_COMPLEXITY
3.408
Cactvs
xemistry.com
2012.11.26
422
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.408
Cactvs
xemistry.com
2012.11.26
5
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.408
Cactvs
xemistry.com
2012.11.26
2
Count
Rotatable Bond
5
E_NROTBONDS
3.408
Cactvs
xemistry.com
2012.11.26
3
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.408
Cactvs
xemistry.com
2012.11.26
00000371C07B3000400000000000000000000000000162C4800030000000000000005801F000001E04100000000C0CE5DE06B1D592C81448AC03AD72F40282F8A9652A390988B5FE6CD88E26B2E4BDBF873928ECD113D8E9A79897C20E08000200000200001000040000040000000000000000
IUPAC Name
Allowed
1
2.2.0
LexiChem
openeye.com
2012.11.26
N-(4-indolin-5-ylthiazol-2-yl)furan-2-carboxamide
IUPAC Name
CAS-like Style
1
2.2.0
LexiChem
openeye.com
2012.11.26
N-[4-(2,3-dihydro-1H-indol-5-yl)-2-thiazolyl]-2-furancarboxamide
IUPAC Name
Preferred
1
2.2.0
LexiChem
openeye.com
2012.11.26
N-[4-(2,3-dihydro-1H-indol-5-yl)-1,3-thiazol-2-yl]furan-2-carboxamide
IUPAC Name
Systematic
1
2.2.0
LexiChem
openeye.com
2012.11.26
N-[4-(2,3-dihydro-1H-indol-5-yl)-1,3-thiazol-2-yl]furan-2-carboxamide
IUPAC Name
Traditional
1
2.2.0
LexiChem
openeye.com
2012.11.26
N-(4-indolin-5-ylthiazol-2-yl)-2-furamide
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
InChI=1S/C16H13N3O2S/c20-15(14-2-1-7-21-14)19-16-18-13(9-22-16)10-3-4-12-11(8-10)5-6-17-12/h1-4,7-9,17H,5-6H2,(H,18,19,20)
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
UEGKDVXWDWEEIQ-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.11.26
3.2
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
311.072848
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
C16H13N3O2S
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
311.35832
SMILES
Canonical
1
1.9.0
OEChem
openeye.com
2012.11.26
C1CNC2=C1C=C(C=C2)C3=CSC(=N3)NC(=O)C4=CC=CO4
SMILES
Isomeric
1
1.9.0
OEChem
openeye.com
2012.11.26
C1CNC2=C1C=C(C=C2)C3=CSC(=N3)NC(=O)C4=CC=CO4
Topological
Polar Surface Area
7
E_TPSA
3.408
Cactvs
xemistry.com
2012.11.26
95.4
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
311.072848
22
0
0
0
0
0
0
0
1
3