[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-(1,3-thiazol-4-yl)methanone

C15H16FN3O3S2 — CID 110646192

IUPAC[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESCc1cc(S(=O)(=O)N2CCN(C(=O)c3cscn3)CC2)ccc1F
InChIInChI=1S/C15H16FN3O3S2/c1-11-8-12(2-3-13(11)16)24(21,22)19-6-4-18(5-7-19)15(20)14-9-23-10-17-14/h2-3,8-10H,4-7H2,1H3
InChIKeyMNVHXMRGKRQODT-UHFFFAOYSA-N
MW369.44 g/mol
LogP1.74
Rot. Bonds3

About [4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-(1,3-thiazol-4-yl)methanone

[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 110646192) has the molecular formula C15H16FN3O3S2 and a molecular weight of 369.44 g/mol. Its IUPAC name is [4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID110646192
Molecular FormulaC15H16FN3O3S2
Molecular Weight369.44 g/mol
Exact Mass369.06
IUPAC Name[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESCc1cc(S(=O)(=O)N2CCN(C(=O)c3cscn3)CC2)ccc1F
InChIInChI=1S/C15H16FN3O3S2/c1-11-8-12(2-3-13(11)16)24(21,22)19-6-4-18(5-7-19)15(20)14-9-23-10-17-14/h2-3,8-10H,4-7H2,1H3
InChIKeyMNVHXMRGKRQODT-UHFFFAOYSA-N
XLogP1.74
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 110646197
1-[4-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone
CID 110646229
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 110646184
methyl 4-(4-fluoro-3-methylphenyl)sulfonylpiperazine-1-carboxylate
CID 110818499
2-chloro-1-[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 28705564
[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 55704390
[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 51154217
[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 110646062
1-(4-fluoro-3-methylphenyl)sulfonyl-4-methylpiperazine
CID 43845541
[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 110646198
(2,4-dichlorophenyl)-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 27562835
1-[4-(4-fluoro-3-methylphenyl)sulfonyl-1,4-diazepan-1-yl]butan-1-one
CID 110796728

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-(1,3-thiazol-4-yl)methanone (CID 110646192) is [4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-(1,3-thiazol-4-yl)methanone is Cc1cc(S(=O)(=O)N2CCN(C(=O)c3cscn3)CC2)ccc1F.
What is the InChIKey of [4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is MNVHXMRGKRQODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O3S2/c1-11-8-12(2-3-13(11)16)24(21,22)19-6-4-18(5-7-19)15(20)14-9-23-10-17-14/h2-3,8-10H,4-7H2,1H3.
What are the key properties of [4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-(1,3-thiazol-4-yl)methanone?
[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 369.44 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 110646192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).