2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]sulfonylbenzonitrile

C20H17FN4O2S2 — CID 133370598

IUPAC2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]sulfonylbenzonitrile
SMILESN#Cc1ccccc1S(=O)(=O)N1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1
InChIInChI=1S/C20H17FN4O2S2/c21-17-7-5-15(6-8-17)18-14-28-20(23-18)24-9-11-25(12-10-24)29(26,27)19-4-2-1-3-16(19)13-22/h1-8,14H,9-12H2
InChIKeyNRXCIYYTDZUBEC-UHFFFAOYSA-N
MW428.51 g/mol
LogP3.33
Rot. Bonds4

About 2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]sulfonylbenzonitrile

2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]sulfonylbenzonitrile (PubChem CID 133370598) has the molecular formula C20H17FN4O2S2 and a molecular weight of 428.51 g/mol. Its IUPAC name is 2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]sulfonylbenzonitrile.

Molecular Properties

Compound Name2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]sulfonylbenzonitrile
PubChem CID133370598
Molecular FormulaC20H17FN4O2S2
Molecular Weight428.51 g/mol
Exact Mass428.08
IUPAC Name2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]sulfonylbenzonitrile
SMILESN#Cc1ccccc1S(=O)(=O)N1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1
InChIInChI=1S/C20H17FN4O2S2/c21-17-7-5-15(6-8-17)18-14-28-20(23-18)24-9-11-25(12-10-24)29(26,27)19-4-2-1-3-16(19)13-22/h1-8,14H,9-12H2
InChIKeyNRXCIYYTDZUBEC-UHFFFAOYSA-N
XLogP3.33
TPSA77.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-4-(4-fluorophenyl)-1,3-thiazole
CID 1447228
4-(4-fluorophenyl)-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperazin-1-yl]-1,3-thiazole
CID 133371641
4-(4-methylphenyl)-2-[4-(2,3,4,5,6-pentafluorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole
CID 87465355
2-[4-(4-fluorobenzoyl)piperazin-1-yl]sulfonylbenzonitrile
CID 4822354
2-[4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]sulfonylbenzonitrile
CID 133352523
2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-4-thiophen-3-yl-1,3-thiazole
CID 71811087
4-phenyl-2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole
CID 14573306
2-[4-(2-cyanophenyl)sulfonylpiperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 9286824
2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-4-(2-methylphenyl)-1,3-thiazole;2-[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]-4-phenyl-1,3-thiazole
CID 157152926
2-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]sulfonylbenzonitrile
CID 122334539
1-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 133371083
2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]sulfonylbenzonitrile
CID 31012765

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]sulfonylbenzonitrile?
The IUPAC name of 2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]sulfonylbenzonitrile (CID 133370598) is 2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]sulfonylbenzonitrile.
What is the SMILES notation for 2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]sulfonylbenzonitrile?
The canonical SMILES for 2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]sulfonylbenzonitrile is N#Cc1ccccc1S(=O)(=O)N1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1.
What is the InChIKey of 2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]sulfonylbenzonitrile?
The InChIKey is NRXCIYYTDZUBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O2S2/c21-17-7-5-15(6-8-17)18-14-28-20(23-18)24-9-11-25(12-10-24)29(26,27)19-4-2-1-3-16(19)13-22/h1-8,14H,9-12H2.
What are the key properties of 2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]sulfonylbenzonitrile?
2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]sulfonylbenzonitrile has a molecular weight of 428.51 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazin-1-yl]sulfonylbenzonitrile is sourced from PubChem (CID 133370598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).