23963101
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10.0878
9.7788
6.5
5.5
11.0388
11.9851
4
11.9851
12.5687
11.0388
10.0878
9.5
8.5
8
7
8.5
7
6.5
8
5.5
5
3.5
2.5
4
2
3.5
2.5
12.5224
11.734
13.0295
13.0295
8.19
6.69
9.12
5.88
8.31
5.6077
4.9174
3.69
2.19
4.62
1.38
3.81
2.19
1.775
4.3441
-0.88
-2.6121
3.0841
1.7793
-1.7461
3.3888
2.5841
2.0841
3.3931
2.5841
2.5841
1.718
1.718
0.852
-0.014
0.852
-0.014
-0.88
-1.7461
-2.6121
-2.6121
-3.4781
-3.4781
-4.3441
-4.3441
3.698
3.9557
2.1693
2.9988
3.121
2.255
0.852
0.852
-0.5509
-0.2695
-0.668
-1.2091
-2.0752
-3.4781
-3.4781
-4.8811
-4.8811
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0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.396
Cactvs
xemistry.com
2012.02.08
634
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.396
Cactvs
xemistry.com
2012.02.08
5
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
00000371E07B3000400000000000000000000000000162000000306000000000100000014000001E04100000000C0CE1D80631C683C00408A802255274028218016122100988004E6CC80E6622C4B99F973828E4D611D8E98790C0000E20000000000000004000000000000000000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2012.02.08
2-[4-[(3-oxo-5,6-dihydroimidazo[2,1-b]thiazol-2-ylidene)methyl]phenoxy]-N-phenyl-acetamide
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2012.02.08
2-[4-[(3-oxo-5,6-dihydroimidazo[2,1-b]thiazol-2-ylidene)methyl]phenoxy]-N-phenylacetamide
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2012.02.08
2-[4-[(3-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-ylidene)methyl]phenoxy]-N-phenylacetamide
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2012.02.08
2-[4-[(3-oxidanylidene-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2-ylidene)methyl]phenoxy]-N-phenyl-ethanamide
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2012.02.08
2-[4-[(3-keto-5,6-dihydroimidazo[2,1-b]thiazol-2-ylidene)methyl]phenoxy]-N-phenyl-acetamide
InChI
Standard
1
1.0.4
InChI
nist.gov
2012.02.08
InChI=1S/C20H17N3O3S/c24-18(22-15-4-2-1-3-5-15)13-26-16-8-6-14(7-9-16)12-17-19(25)23-11-10-21-20(23)27-17/h1-9,12H,10-11,13H2,(H,22,24)
InChIKey
Standard
1
1.0.4
InChI
nist.gov
2012.02.08
ILRXCHOOWDVCFZ-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.02.08
2.9
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
379.099062
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
C20H17N3O3S
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
379.43228
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2012.02.08
C1CN2C(=O)C(=CC3=CC=C(C=C3)OCC(=O)NC4=CC=CC=C4)SC2=N1
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2012.02.08
C1CN2C(=O)C(=CC3=CC=C(C=C3)OCC(=O)NC4=CC=CC=C4)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
379.099062
27
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0
0
1
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1
0
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