1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone

C16H17F2N3O3S2 — CID 31561374

IUPAC1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
SMILESCc1nc(CC(=O)N2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)cs1
InChIInChI=1S/C16H17F2N3O3S2/c1-11-19-13(10-25-11)9-16(22)20-4-6-21(7-5-20)26(23,24)15-8-12(17)2-3-14(15)18/h2-3,8,10H,4-7,9H2,1H3
InChIKeyAMJGCSDFPGFXIC-UHFFFAOYSA-N
MW401.46 g/mol
LogP1.81
Rot. Bonds4

About 1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone

1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone (PubChem CID 31561374) has the molecular formula C16H17F2N3O3S2 and a molecular weight of 401.46 g/mol. Its IUPAC name is 1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
PubChem CID31561374
Molecular FormulaC16H17F2N3O3S2
Molecular Weight401.46 g/mol
Exact Mass401.07
IUPAC Name1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
SMILESCc1nc(CC(=O)N2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)cs1
InChIInChI=1S/C16H17F2N3O3S2/c1-11-19-13(10-25-11)9-16(22)20-4-6-21(7-5-20)26(23,24)15-8-12(17)2-3-14(15)18/h2-3,8,10H,4-7,9H2,1H3
InChIKeyAMJGCSDFPGFXIC-UHFFFAOYSA-N
XLogP1.81
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone with MolForge

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Related Compounds

1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 34182855
(4-fluoro-3-piperidin-1-ylsulfonylphenyl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 39539144
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 55428665
[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(3-ethylthiophen-2-yl)methanone
CID 55997998
[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 41275096
1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-3-(2-fluorophenyl)propan-1-one
CID 9371091
1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-3-thiophen-3-ylpropan-1-one
CID 9371028
1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 25497115
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethanone
CID 30474573
1-(2,5-difluorophenyl)sulfonyl-4-(4-methylphenyl)sulfonylpiperazine
CID 17377890
1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)ethanone
CID 31794244
1-[4-(5-chloro-2-fluorophenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 110817241

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone (CID 31561374) is 1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone is Cc1nc(CC(=O)N2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)cs1.
What is the InChIKey of 1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The InChIKey is AMJGCSDFPGFXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O3S2/c1-11-19-13(10-25-11)9-16(22)20-4-6-21(7-5-20)26(23,24)15-8-12(17)2-3-14(15)18/h2-3,8,10H,4-7,9H2,1H3.
What are the key properties of 1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone has a molecular weight of 401.46 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 31561374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).