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

C20H18F2N4O3S2 — CID 26814788

IUPAC1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone
SMILESO=C(Cc1csc(-c2ccccn2)n1)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C20H18F2N4O3S2/c21-14-4-5-16(22)18(11-14)31(28,29)26-9-7-25(8-10-26)19(27)12-15-13-30-20(24-15)17-3-1-2-6-23-17/h1-6,11,13H,7-10,12H2
InChIKeyILECFBCWKARXHP-UHFFFAOYSA-N
MW464.52 g/mol
LogP2.56
Rot. Bonds5

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

1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone (PubChem CID 26814788) has the molecular formula C20H18F2N4O3S2 and a molecular weight of 464.52 g/mol. Its IUPAC name is 1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone
PubChem CID26814788
Molecular FormulaC20H18F2N4O3S2
Molecular Weight464.52 g/mol
Exact Mass464.08
IUPAC Name1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone
SMILESO=C(Cc1csc(-c2ccccn2)n1)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1
InChIInChI=1S/C20H18F2N4O3S2/c21-14-4-5-16(22)18(11-14)31(28,29)26-9-7-25(8-10-26)19(27)12-15-13-30-20(24-15)17-3-1-2-6-23-17/h1-6,11,13H,7-10,12H2
InChIKeyILECFBCWKARXHP-UHFFFAOYSA-N
XLogP2.56
TPSA83.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.52
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone (CID 26814788) is 1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone is O=C(Cc1csc(-c2ccccn2)n1)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1.
What is the InChIKey of 1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone?
The InChIKey is ILECFBCWKARXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O3S2/c21-14-4-5-16(22)18(11-14)31(28,29)26-9-7-25(8-10-26)19(27)12-15-13-30-20(24-15)17-3-1-2-6-23-17/h1-6,11,13H,7-10,12H2.
What are the key properties of 1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone?
1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone has a molecular weight of 464.52 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 26814788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).