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5.4071
2.1537
4.9116
2.866
4.5981
3.3292
3.5549
3.7891
3.736
3.1482
2.9672
3.5103
4.7305
3.917
3.3739
4.0981
4.5981
4.5981
2.7861
5.0981
3.732
5.4641
3.732
4.5981
5.4641
2
5.4641
4.1004
2.7126
2.4531
2.5365
2.9963
3.0796
4.7953
5.3471
4.6657
4.1715
3.8879
3.8046
3.2877
2.4217
2.2845
5.4625
3.1951
6.001
6.001
2.31
1.4631
1.69
5.1541
6.001
5.7741
-1.7813
3.3194
0.9969
-5.369
-6.369
1.7014
4.3375
-1.7813
2.6149
3.4239
5.1465
-0.0212
2.7194
0.8924
6.06
-0.8302
-2.369
-3.369
6.869
-0.8302
-3.869
-3.869
-4.869
-5.369
-4.869
-4.869
-6.869
2.1133
1.6366
5.4932
4.7005
0.3255
-0.4672
2.1028
2.7842
3.336
4.4023
5.7133
6.506
7.2335
7.3706
6.5046
-0.3286
-3.559
-3.559
-5.179
-4.3321
-4.559
-5.406
-7.406
-7.179
-6.3321
8
8
8
8
3
8
8
8
8
8
8
8
1
1
8
8
9
16
18
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0
Compound
Canonicalized
5
2010.07.16
1
Compound Complexity
7
E_COMPLEXITY
3.402
Cactvs
xemistry.com
2012.05.21
494
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.402
Cactvs
xemistry.com
2012.05.21
6
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.402
Cactvs
xemistry.com
2012.05.21
2
Count
Rotatable Bond
5
E_NROTBONDS
3.402
Cactvs
xemistry.com
2012.05.21
9
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.402
Cactvs
xemistry.com
2012.05.21
00000371E07B380040000000000000000000000000016000000030000000000000000001C000001E04100000000C2CC5DE06B28792C81408AC032572540082F8A0612A380888B5BEAC980D66BAA4F53B94302A64D611AAA807B0D0120E20000100000040004000020000008000000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2012.05.21
2-[[2-[2-(3,4-dimethoxyphenyl)thiazol-4-yl]acetyl]amino]-N-propyl-propanamide
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2012.05.21
2-[[2-[2-(3,4-dimethoxyphenyl)-4-thiazolyl]-1-oxoethyl]amino]-N-propylpropanamide
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2012.05.21
2-[[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-N-propylpropanamide
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2012.05.21
2-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethanoylamino]-N-propyl-propanamide
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2012.05.21
2-[[2-[2-(3,4-dimethoxyphenyl)thiazol-4-yl]acetyl]amino]-N-propyl-propionamide
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
InChI=1S/C19H25N3O4S/c1-5-8-20-18(24)12(2)21-17(23)10-14-11-27-19(22-14)13-6-7-15(25-3)16(9-13)26-4/h6-7,9,11-12H,5,8,10H2,1-4H3,(H,20,24)(H,21,23)
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
UNNTZLWUVQHLLX-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.05.21
2.4
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
391.156577
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
C19H25N3O4S
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
391.4845
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2012.05.21
CCCNC(=O)C(C)NC(=O)CC1=CSC(=N1)C2=CC(=C(C=C2)OC)OC
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2012.05.21
CCCNC(=O)C(C)NC(=O)CC1=CSC(=N1)C2=CC(=C(C=C2)OC)OC
Topological
Polar Surface Area
7
E_TPSA
3.402
Cactvs
xemistry.com
2012.05.21
118
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
391.156577
27
1
0
1
0
0
0
0
1
4