54691579
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5.5443
7.1279
10.7157
3.732
2
9.1279
3.732
5.5443
9.1279
10.7157
4.5981
4.5981
3.732
6.1279
2.866
2.866
7.6279
8.6279
10.1279
11.6667
11.6667
12.4758
3.732
2.3291
7.0453
7.7356
8.8179
12.1683
12.1113
12.9774
12.8402
3.1951
1.0596
0.2549
-0.6681
2.2549
-0.7451
0.2549
-0.7451
-0.5498
-1.4771
-2.2862
0.7549
-0.2451
1.2549
0.2549
0.7549
-0.2451
-0.6111
-0.6111
-1.4771
-1.9771
-0.9771
-2.5649
-1.3651
1.0649
-0.8232
-1.2217
-2.0141
-0.6127
-3.0665
-2.9293
-2.0633
2.5649
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
1
1
3
3
7
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16
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0
Compound
Canonicalized
5
2011.12.21
1
Compound Complexity
7
E_COMPLEXITY
3.402
Cactvs
xemistry.com
2012.05.21
504
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.402
Cactvs
xemistry.com
2012.05.21
8
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.402
Cactvs
xemistry.com
2012.05.21
3
Count
Rotatable Bond
5
E_NROTBONDS
3.402
Cactvs
xemistry.com
2012.05.21
4
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.402
Cactvs
xemistry.com
2012.05.21
00000371C073B000600000000000000000000000000162C0000020000000000000004001E000001E0410080000080C85D600A3B112C81208AC012772740082F1A9612A39019814306848880400E009000440000A1502C891260000000000000000000000000000000000000000000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2012.05.21
2-[(7-hydroxy-5-oxo-4H-thiazolo[4,5-b]pyridin-2-yl)sulfanyl]-N-(4-methylthiazol-2-yl)acetamide
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2012.05.21
2-[(7-hydroxy-5-oxo-4H-thiazolo[4,5-b]pyridin-2-yl)thio]-N-(4-methyl-2-thiazolyl)acetamide
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2012.05.21
2-[(7-hydroxy-5-oxo-4H-[1,3]thiazolo[4,5-b]pyridin-2-yl)sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2012.05.21
N-(4-methyl-1,3-thiazol-2-yl)-2-[(7-oxidanyl-5-oxidanylidene-4H-[1,3]thiazolo[4,5-b]pyridin-2-yl)sulfanyl]ethanamide
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2012.05.21
2-[(7-hydroxy-5-keto-4H-thiazolo[4,5-b]pyridin-2-yl)thio]-N-(4-methylthiazol-2-yl)acetamide
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
InChI=1S/C12H10N4O3S3/c1-5-3-20-11(13-5)15-8(19)4-21-12-16-10-9(22-12)6(17)2-7(18)14-10/h2-3H,4H2,1H3,(H,13,15,19)(H2,14,17,18)
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
BAJPSYWIBVYNFB-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.05.21
1.6
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
353.991503
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
C12H10N4O3S3
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
354.4278
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2012.05.21
CC1=CSC(=N1)NC(=O)CSC2=NC3=C(S2)C(=CC(=O)N3)O
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2012.05.21
CC1=CSC(=N1)NC(=O)CSC2=NC3=C(S2)C(=CC(=O)N3)O
Topological
Polar Surface Area
7
E_TPSA
3.402
Cactvs
xemistry.com
2012.05.21
186
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
353.991503
22
0
0
0
0
0
0
0
1
45