56692483
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10.0878
2
9.7788
6.5
5.5
11.0388
11.9851
4
11.9851
12.5687
11.0388
10.0878
9.5
8.5
8
8.5
7
7
8
6.5
5.5
3.5
5
4
2.5
3.5
2
2.5
12.5224
11.734
13.0295
13.0295
8.19
9.12
6.69
8.31
5.88
5.6077
4.9174
3.69
4.62
2.19
3.81
1.38
2.2081
-4.7772
4.7772
-0.447
-2.1791
3.5171
2.2123
-1.313
3.8218
3.0171
2.5171
3.8261
3.0171
3.0171
2.151
1.285
2.151
0.419
0.419
1.285
-0.447
-2.1791
-1.313
-3.0451
-2.1791
-3.9111
-3.0451
-3.9111
4.131
4.3887
2.6024
3.4318
3.554
1.285
2.688
-0.1179
1.285
0.1636
-0.235
-0.7761
-3.0451
-1.6421
-4.4481
-3.0451
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0
Compound
Canonicalized
5
2012.02.08
1
Compound Complexity
7
E_COMPLEXITY
3.396
Cactvs
xemistry.com
2012.02.08
668
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.396
Cactvs
xemistry.com
2012.02.08
6
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.396
Cactvs
xemistry.com
2012.02.08
1
Count
Rotatable Bond
5
E_NROTBONDS
3.396
Cactvs
xemistry.com
2012.02.08
5
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.396
Cactvs
xemistry.com
2012.02.08
00000371E07B3100400000000000000000000000000162000000306000000000100000014000001F04100000000C0CE1D80E31C683C00408A802255274028218016122100988004E6CC80E6622C4B99F973828E4D611D8E98790C0000E20000000000000004000000000000000000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2012.02.08
N-(4-fluorophenyl)-2-[4-[(Z)-(3-oxo-5,6-dihydroimidazo[2,1-b]thiazol-2-ylidene)methyl]phenoxy]acetamide
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2012.02.08
N-(4-fluorophenyl)-2-[4-[(Z)-(3-oxo-5,6-dihydroimidazo[2,1-b]thiazol-2-ylidene)methyl]phenoxy]acetamide
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2012.02.08
N-(4-fluorophenyl)-2-[4-[(Z)-(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-ylidene)methyl]phenoxy]acetamide
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2012.02.08
N-(4-fluorophenyl)-2-[4-[(Z)-(3-oxidanylidene-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-ylidene)methyl]phenoxy]ethanamide
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2012.02.08
N-(4-fluorophenyl)-2-[4-[(Z)-(3-keto-5,6-dihydroimidazo[2,1-b]thiazol-2-ylidene)methyl]phenoxy]acetamide
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.02.08
InChI=1S/C20H16FN3O3S/c21-14-3-5-15(6-4-14)23-18(25)12-27-16-7-1-13(2-8-16)11-17-19(26)24-10-9-22-20(24)28-17/h1-8,11H,9-10,12H2,(H,23,25)/b17-11-
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.02.08
JOBUKKLYZALOPJ-BOPFTXTBSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.02.08
3
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
397.089641
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
C20H16FN3O3S
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
397.422743
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2012.02.08
C1CN2C(=O)C(=CC3=CC=C(C=C3)OCC(=O)NC4=CC=C(C=C4)F)SC2=N1
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2012.02.08
C1CN2C(=O)/C(=C/C3=CC=C(C=C3)OCC(=O)NC4=CC=C(C=C4)F)/SC2=N1
Topological
Polar Surface Area
7
E_TPSA
3.396
Cactvs
xemistry.com
2012.02.08
96.3
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
397.089641
28
0
0
0
1
1
0
0
1
3