53377426
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3.232
7.5777
2
3.4186
3.732
4.5411
4.8198
3.732
3.732
3.732
4.5981
2.866
4.5981
2.866
4.232
2.923
5.0009
2.866
2.866
4.4131
5.9954
4.5942
6.5832
5.1819
6.1765
2
8.1655
5.135
2.3291
5.135
2.3291
4.269
2.3334
3.0781
3.4766
5.4364
6.2476
3.9775
4.9298
6.5409
1.69
1.4631
2.31
8.6671
8.5299
7.6639
1.6424
4.7739
-3.8965
3.4694
-3.8965
0.6913
2.4514
-0.8965
-2.8965
0.1035
-1.3965
-1.3965
-2.3965
-2.3965
1.6424
0.6913
4.1739
-4.3965
-5.3965
3.3649
4.0694
5.0875
4.8784
5.8965
5.792
-5.8965
5.5829
-1.0865
-1.0865
-2.7065
-2.7065
-4.2065
0.4997
-5.9791
-5.2888
2.3866
3.503
5.1523
6.4629
6.2936
-5.3596
-6.2065
-6.4334
5.2185
6.0845
5.9473
8
8
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8
8
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8
1
1
6
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17
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24
15
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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
511
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
6
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.408
Cactvs
xemistry.com
2012.11.26
00000371E07B300040000000000000000000000000016000000030600000000000000001D000001E04100000000C0C85DE02B3D792C81408AC032572740082F8A9652A39098835366CD88C26B2E4BD9B8431286CD513C8E9A7BAC8908E08000100000000001000020000000000000000000000
IUPAC Name
Allowed
1
2.2.0
LexiChem
openeye.com
2012.11.26
3-methoxy-N-[4-[4-(propanoylamino)phenyl]thiazol-2-yl]benzamide
IUPAC Name
CAS-like Style
1
2.2.0
LexiChem
openeye.com
2012.11.26
3-methoxy-N-[4-[4-(1-oxopropylamino)phenyl]-2-thiazolyl]benzamide
IUPAC Name
Preferred
1
2.2.0
LexiChem
openeye.com
2012.11.26
3-methoxy-N-[4-[4-(propanoylamino)phenyl]-1,3-thiazol-2-yl]benzamide
IUPAC Name
Systematic
1
2.2.0
LexiChem
openeye.com
2012.11.26
3-methoxy-N-[4-[4-(propanoylamino)phenyl]-1,3-thiazol-2-yl]benzamide
IUPAC Name
Traditional
1
2.2.0
LexiChem
openeye.com
2012.11.26
3-methoxy-N-[4-(4-propionamidophenyl)thiazol-2-yl]benzamide
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
InChI=1S/C20H19N3O3S/c1-3-18(24)21-15-9-7-13(8-10-15)17-12-27-20(22-17)23-19(25)14-5-4-6-16(11-14)26-2/h4-12H,3H2,1-2H3,(H,21,24)(H,22,23,25)
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
QWLRDRKBPXFEEC-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.11.26
3.4
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
381.114712
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
C20H19N3O3S
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
381.44816
SMILES
Canonical
1
1.9.0
OEChem
openeye.com
2012.11.26
CCC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=CC=C3)OC
SMILES
Isomeric
1
1.9.0
OEChem
openeye.com
2012.11.26
CCC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=CC=C3)OC
Topological
Polar Surface Area
7
E_TPSA
3.408
Cactvs
xemistry.com
2012.11.26
109
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
381.114712
27
0
0
0
0
0
0
0
1
9