68775720
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3.232
2
4.8198
5.9954
4.5411
2.923
4.4131
5.8144
5.0009
6.4021
4.232
3.732
3.732
2.866
4.5981
2.866
4.5981
3.732
3.9824
3.8991
5.6435
6.3716
5.1718
4.4436
6.8328
6.9162
6.3598
5.135
2.3291
5.135
3.732
0.8051
-1.7337
1.6141
3.2322
-0.146
-0.146
2.5277
1.5096
3.3367
2.3186
0.8051
-0.7337
-1.7337
-2.2337
-2.2337
-3.2337
-3.2337
-3.7337
2.9736
2.181
0.9136
1.2378
3.9327
3.6085
1.8726
2.6653
3.7337
-1.9237
-3.5437
-3.5437
-4.3537
8
8
8
8
8
8
8
8
8
8
8
1
1
5
5
6
13
13
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17
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11
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0
Compound
Canonicalized
5
2012.11.26
1
Compound Complexity
7
E_COMPLEXITY
3.408
Cactvs
xemistry.com
2012.11.26
275
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.408
Cactvs
xemistry.com
2012.11.26
6
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.408
Cactvs
xemistry.com
2012.11.26
1
Count
Rotatable Bond
5
E_NROTBONDS
3.408
Cactvs
xemistry.com
2012.11.26
2
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.408
Cactvs
xemistry.com
2012.11.26
00000371C07381004000000000000000000000000001600000003C400000000000000001C000001D04104000000C00C11B0C311087C81000A4022262240082D0092000A80988A02804988868A28099119420086890028888071080000E00000000000000000000000000000000000000000000
IUPAC Name
Allowed
1
2.2.0
LexiChem
openeye.com
2012.11.26
3-(2-fluorophenyl)-5-piperazin-1-yl-1,2,4-thiadiazole
IUPAC Name
CAS-like Style
1
2.2.0
LexiChem
openeye.com
2012.11.26
3-(2-fluorophenyl)-5-(1-piperazinyl)-1,2,4-thiadiazole
IUPAC Name
Preferred
1
2.2.0
LexiChem
openeye.com
2012.11.26
3-(2-fluorophenyl)-5-piperazin-1-yl-1,2,4-thiadiazole
IUPAC Name
Systematic
1
2.2.0
LexiChem
openeye.com
2012.11.26
3-(2-fluorophenyl)-5-piperazin-1-yl-1,2,4-thiadiazole
IUPAC Name
Traditional
1
2.2.0
LexiChem
openeye.com
2012.11.26
3-(2-fluorophenyl)-5-piperazino-1,2,4-thiadiazole
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
InChI=1S/C12H13FN4S/c13-10-4-2-1-3-9(10)11-15-12(18-16-11)17-7-5-14-6-8-17/h1-4,14H,5-8H2
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
LXVLSLQAGSMZGT-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.11.26
2.3
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
264.084496
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
C12H13FN4S
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
264.321823
SMILES
Canonical
1
1.9.0
OEChem
openeye.com
2012.11.26
C1CN(CCN1)C2=NC(=NS2)C3=CC=CC=C3F
SMILES
Isomeric
1
1.9.0
OEChem
openeye.com
2012.11.26
C1CN(CCN1)C2=NC(=NS2)C3=CC=CC=C3F
Topological
Polar Surface Area
7
E_TPSA
3.408
Cactvs
xemistry.com
2012.11.26
69.3
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
264.084496
18
0
0
0
0
0
0
0
1
1