1-[4-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]sulfonylphenyl]ethanone

C15H16N2O3S2 — CID 110750444

IUPAC1-[4-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]sulfonylphenyl]ethanone
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCCC2c2nccs2)cc1
InChIInChI=1S/C15H16N2O3S2/c1-11(18)12-4-6-13(7-5-12)22(19,20)17-9-2-3-14(17)15-16-8-10-21-15/h4-8,10,14H,2-3,9H2,1H3
InChIKeyHEPVTJAAAYIFCL-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.87
Rot. Bonds4

About 1-[4-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]sulfonylphenyl]ethanone

1-[4-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]sulfonylphenyl]ethanone (PubChem CID 110750444) has the molecular formula C15H16N2O3S2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-[4-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]sulfonylphenyl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]sulfonylphenyl]ethanone
PubChem CID110750444
Molecular FormulaC15H16N2O3S2
Molecular Weight336.44 g/mol
Exact Mass336.06
IUPAC Name1-[4-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]sulfonylphenyl]ethanone
SMILESCC(=O)c1ccc(S(=O)(=O)N2CCCC2c2nccs2)cc1
InChIInChI=1S/C15H16N2O3S2/c1-11(18)12-4-6-13(7-5-12)22(19,20)17-9-2-3-14(17)15-16-8-10-21-15/h4-8,10,14H,2-3,9H2,1H3
InChIKeyHEPVTJAAAYIFCL-UHFFFAOYSA-N
XLogP2.87
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]sulfonylphenyl]ethanone with MolForge

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

Launch Full Analysis

Related Compounds

2-[1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-1,3-thiazole
CID 110750424
1-[4-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]sulfonylphenyl]ethanone
CID 25491119
1-[1-(4-acetylphenyl)sulfonylpiperidin-2-yl]ethanone
CID 63845358
methyl 4-(2-pyridin-4-ylpyrrolidin-1-yl)sulfonylbenzoate
CID 42943935
2-[1-(2-methoxy-5-methylphenyl)sulfonylpyrrolidin-2-yl]-1,3-thiazole
CID 110750417
methyl 1-(4-acetylphenyl)sulfonylpyrrolidine-2-carboxylate
CID 3866930
1-[4-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]sulfonylphenyl]ethanone
CID 9171628
1-[4-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]sulfonylphenyl]ethanone
CID 9171630
1-[4-[[3-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]methoxy]phenyl]ethanone
CID 42508366
(2R)-1-(4-acetylphenyl)sulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 46385719
2-[(2S)-1-benzylsulfonylpiperidin-2-yl]-1,3-thiazole
CID 99817986
[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 24618166

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]sulfonylphenyl]ethanone?
The IUPAC name of 1-[4-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]sulfonylphenyl]ethanone (CID 110750444) is 1-[4-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]sulfonylphenyl]ethanone.
What is the SMILES notation for 1-[4-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]sulfonylphenyl]ethanone?
The canonical SMILES for 1-[4-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]sulfonylphenyl]ethanone is CC(=O)c1ccc(S(=O)(=O)N2CCCC2c2nccs2)cc1.
What is the InChIKey of 1-[4-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]sulfonylphenyl]ethanone?
The InChIKey is HEPVTJAAAYIFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S2/c1-11(18)12-4-6-13(7-5-12)22(19,20)17-9-2-3-14(17)15-16-8-10-21-15/h4-8,10,14H,2-3,9H2,1H3.
What are the key properties of 1-[4-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]sulfonylphenyl]ethanone?
1-[4-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]sulfonylphenyl]ethanone has a molecular weight of 336.44 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]sulfonylphenyl]ethanone is sourced from PubChem (CID 110750444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).