847035
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255
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4.6783
7.8551
6.2619
4.6783
6.2619
2
2
2.866
2.866
3.732
3.732
5.2619
6.7619
7.7619
8.2619
9.2564
9.4643
8.5983
1.3894
1.788
1.788
1.3894
2.4675
3.2646
3.2646
2.4675
6.5719
8.3445
7.6542
9.6713
10.0307
8.5335
0.3526
-1.4882
-0.5747
1.9621
1.1574
0.6574
1.6574
0.1574
2.1574
0.6574
1.6574
1.1574
0.2913
0.2913
-0.5747
-0.6792
-1.6574
-2.1574
0.765
0.0748
2.24
1.5497
-0.3176
-0.3176
2.6323
2.6323
1.6943
0.5034
0.9019
-0.2185
-1.9095
-2.774
8
8
8
8
8
8
8
8
8
8
1
1
2
2
4
4
10
15
16
17
10
12
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18
11
12
11
16
17
18
0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.402
Cactvs
xemistry.com
2012.05.21
313
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.402
Cactvs
xemistry.com
2012.05.21
4
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
3
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.402
Cactvs
xemistry.com
2012.05.21
00000371C073200060000000000000000000000000016240000030000000000000005801E000001E0410000000080885D600B19192C81008AC012572740003F0A961083949981D304088882032E09D1184000028910268C8271808000000000000000000000000000000000200000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2012.05.21
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(2-thienyl)acetamide
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2012.05.21
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2012.05.21
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-2-ylacetamide
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2012.05.21
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-thiophen-2-yl-ethanamide
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2012.05.21
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(2-thienyl)acetamide
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
InChI=1S/C13H14N2OS2/c16-12(8-9-4-3-7-17-9)15-13-14-10-5-1-2-6-11(10)18-13/h3-4,7H,1-2,5-6,8H2,(H,14,15,16)
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
PYFYONWWATZIHY-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.05.21
2.9
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
278.054755
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
C13H14N2OS2
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
278.39306
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2012.05.21
C1CCC2=C(C1)N=C(S2)NC(=O)CC3=CC=CS3
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2012.05.21
C1CCC2=C(C1)N=C(S2)NC(=O)CC3=CC=CS3
Topological
Polar Surface Area
7
E_TPSA
3.402
Cactvs
xemistry.com
2012.05.21
98.5
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
278.054755
18
0
0
0
0
0
0
0
1
5