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4.3907
9.1605
3.5827
2.9016
9.5176
5.8688
4.4839
9.5176
10.1013
8.5714
8.5714
7.7054
7.7054
9.8283
6.8394
6.8394
10.8068
5.9734
11.1175
5.0598
4.8907
3.4894
3.0827
2.1045
2
2.9136
9.2666
10.055
10.5621
10.5621
7.7054
7.7054
6.3024
10.8274
11.4206
11.7068
11.3101
10.5282
4.9309
4.8484
1.6438
1.4631
3.0424
0.0792
3.9152
-3.5845
-0.9959
2.2204
-0.5789
-1.7004
0.6109
1.4156
0.9156
1.9156
0.4156
2.4156
3.1709
0.9156
1.9156
3.3771
0.4156
4.3276
0.8224
-0.7868
-1.8049
-2.7184
-2.9263
-3.9209
-4.3276
0.044
0.3017
1.0009
1.8303
-0.2044
3.0356
2.2256
2.7574
3.2897
4.135
4.9169
4.5202
1.4288
-2.202
-2.5115
-4.2309
-4.9341
8
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3
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0
Compound
Canonicalized
5
2010.01.29
1
Compound Complexity
7
E_COMPLEXITY
3.402
Cactvs
xemistry.com
2012.05.21
546
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.402
Cactvs
xemistry.com
2012.05.21
5
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.402
Cactvs
xemistry.com
2012.05.21
1
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
00000371E07B3000400000000000000000000000000162C4800030000000000000005801F000001E04100000000C0CE5DE06B3D593C81448AC03AD72F40282F8A9652A39098835FE6CD88E26B2E4BDBF873928ECC713D8E9A79897C20E08000200000200001000040000040000000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2012.05.21
N-[4-(1-propanoylindolin-5-yl)thiazol-2-yl]furan-2-carboxamide
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2012.05.21
N-[4-[1-(1-oxopropyl)-2,3-dihydroindol-5-yl]-2-thiazolyl]-2-furancarboxamide
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2012.05.21
N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]furan-2-carboxamide
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2012.05.21
N-[4-(1-propanoyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]furan-2-carboxamide
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2012.05.21
N-[4-(1-propionylindolin-5-yl)thiazol-2-yl]-2-furamide
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
InChI=1S/C19H17N3O3S/c1-2-17(23)22-8-7-13-10-12(5-6-15(13)22)14-11-26-19(20-14)21-18(24)16-4-3-9-25-16/h3-6,9-11H,2,7-8H2,1H3,(H,20,21,24)
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
BPPUUWBBFKGZJS-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.05.21
3
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
367.099062
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
C19H17N3O3S
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
367.42158
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2012.05.21
CCC(=O)N1CCC2=C1C=CC(=C2)C3=CSC(=N3)NC(=O)C4=CC=CO4
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2012.05.21
CCC(=O)N1CCC2=C1C=CC(=C2)C3=CSC(=N3)NC(=O)C4=CC=CO4
Topological
Polar Surface Area
7
E_TPSA
3.402
Cactvs
xemistry.com
2012.05.21
104
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
367.099062
26
0
0
0
0
0
0
0
1
3