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2
4.5246
2.9705
6.3041
5.4381
6.3041
5.3336
8.9022
8.9022
7.1702
8.0362
7.1702
8.0362
9.7962
9.7962
6.3041
10.7022
10.7022
5.4381
4.3554
3.9487
3.8554
4.4487
6.3041
3.7796
2.866
8.0362
8.0362
9.789
9.789
11.238
11.238
6.8411
3.2388
5.0653
6.9241
6.3041
5.6841
3.9085
-4.1592
0.0659
-2.6647
3.1592
1.6592
0.1592
-1.3353
1.6592
2.6592
1.6592
1.1592
2.6592
3.1592
1.1245
3.1939
1.1592
1.6384
2.68
-0.3408
-1.5432
-2.4568
-0.6772
-3.3228
4.1592
-4.0659
-3.6592
0.5392
3.7792
0.5046
3.8138
1.3263
2.9921
-0.1508
-0.6124
-3.3876
4.1592
4.7792
4.1592
-4.6724
8
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0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.402
Cactvs
xemistry.com
2012.05.21
512
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
00000371C07B3000601000000000000000000000000162400000306000000000000000C1F400001E04500000012C0C85DE02B397D2C81408AC032572740083F8A9652A3D49883D362CF88C26B6A4BD1B8431686EE11328ABB798C8F08EE000030000180000C000060000300000000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2012.05.21
N-[4-(5-bromo-2-thienyl)thiazol-2-yl]-3-methoxy-naphthalene-2-carboxamide
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2012.05.21
N-[4-(5-bromo-2-thiophenyl)-2-thiazolyl]-3-methoxy-2-naphthalenecarboxamide
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2012.05.21
N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-3-methoxynaphthalene-2-carboxamide
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2012.05.21
N-[4-(5-bromanylthiophen-2-yl)-1,3-thiazol-2-yl]-3-methoxy-naphthalene-2-carboxamide
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2012.05.21
N-[4-(5-bromo-2-thienyl)thiazol-2-yl]-3-methoxy-2-naphthamide
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
InChI=1S/C19H13BrN2O2S2/c1-24-15-9-12-5-3-2-4-11(12)8-13(15)18(23)22-19-21-14(10-25-19)16-6-7-17(20)26-16/h2-10H,1H3,(H,21,22,23)
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
ZGVYGGODTMFSIS-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.05.21
5.7
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
443.960182
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
C19H13BrN2O2S2
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
445.35272
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2012.05.21
COC1=CC2=CC=CC=C2C=C1C(=O)NC3=NC(=CS3)C4=CC=C(S4)Br
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2012.05.21
COC1=CC2=CC=CC=C2C=C1C(=O)NC3=NC(=CS3)C4=CC=C(S4)Br
Topological
Polar Surface Area
7
E_TPSA
3.402
Cactvs
xemistry.com
2012.05.21
108
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
443.960182
26
0
0
0
0
0
0
0
1
3