2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-5-methyl-1,3-thiazole

C14H16FN3O2S2 — CID 133351883

IUPAC2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-5-methyl-1,3-thiazole
SMILESCc1cnc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)s1
InChIInChI=1S/C14H16FN3O2S2/c1-11-10-16-14(21-11)17-6-8-18(9-7-17)22(19,20)13-4-2-12(15)3-5-13/h2-5,10H,6-9H2,1H3
InChIKeyIFZNQWAFSMOJIV-UHFFFAOYSA-N
MW341.43 g/mol
LogP2.10
Rot. Bonds3

About 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-5-methyl-1,3-thiazole

2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-5-methyl-1,3-thiazole (PubChem CID 133351883) has the molecular formula C14H16FN3O2S2 and a molecular weight of 341.43 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-5-methyl-1,3-thiazole
PubChem CID133351883
Molecular FormulaC14H16FN3O2S2
Molecular Weight341.43 g/mol
Exact Mass341.07
IUPAC Name2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-5-methyl-1,3-thiazole
SMILESCc1cnc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)s1
InChIInChI=1S/C14H16FN3O2S2/c1-11-10-16-14(21-11)17-6-8-18(9-7-17)22(19,20)13-4-2-12(15)3-5-13/h2-5,10H,6-9H2,1H3
InChIKeyIFZNQWAFSMOJIV-UHFFFAOYSA-N
XLogP2.10
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-[1,3]thiazolo[5,4-b]pyridine
CID 53084458
4-chloro-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-1,3-benzothiazole
CID 16937776
5-methyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperazin-1-yl]-1,3-thiazole
CID 133349069
1-(4-fluorophenyl)sulfonyl-4-(6-methyl-2-pyridinyl)piperazine
CID 4585375
5-methyl-2-[4-(3-methylquinolin-8-yl)sulfonylpiperazin-1-yl]-1,3-thiazole
CID 133351886
2-(4-fluorophenoxy)-1-[4-(5-methyl-1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 133309355
2-[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide;2-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-N-hydroxy-1,3-thiazole-5-carboxamide
CID 159120760
1-(2,3-dimethylphenyl)-4-(4-fluorophenyl)sulfonylpiperazine
CID 694818
1-(4-tert-butylphenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperazine
CID 4510553
2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-5-methyl-1,3,4-thiadiazole
CID 108780892
2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-methylquinoxaline
CID 31007687
6-fluoro-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,3-benzothiazole
CID 16937352

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-5-methyl-1,3-thiazole?
The IUPAC name of 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-5-methyl-1,3-thiazole (CID 133351883) is 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-5-methyl-1,3-thiazole.
What is the SMILES notation for 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-5-methyl-1,3-thiazole?
The canonical SMILES for 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-5-methyl-1,3-thiazole is Cc1cnc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)s1.
What is the InChIKey of 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-5-methyl-1,3-thiazole?
The InChIKey is IFZNQWAFSMOJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2S2/c1-11-10-16-14(21-11)17-6-8-18(9-7-17)22(19,20)13-4-2-12(15)3-5-13/h2-5,10H,6-9H2,1H3.
What are the key properties of 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-5-methyl-1,3-thiazole?
2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-5-methyl-1,3-thiazole has a molecular weight of 341.43 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-5-methyl-1,3-thiazole is sourced from PubChem (CID 133351883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).