[2-chloro-4-methylsulfonyl-3-(1,2-oxazol-3-yl)phenyl]-(5-cyclopropyl-1,2-thiazol-4-yl)methanone

C17H13ClN2O4S2 — CID 10993256

IUPAC[2-chloro-4-methylsulfonyl-3-(1,2-oxazol-3-yl)phenyl]-(5-cyclopropyl-1,2-thiazol-4-yl)methanone
SMILESCS(=O)(=O)c1ccc(C(=O)c2cnsc2C2CC2)c(Cl)c1-c1ccon1
InChIInChI=1S/C17H13ClN2O4S2/c1-26(22,23)13-5-4-10(15(18)14(13)12-6-7-24-20-12)16(21)11-8-19-25-17(11)9-2-3-9/h4-9H,2-3H2,1H3
InChIKeyTVTVPYILTUEUDJ-UHFFFAOYSA-N
MW408.89 g/mol
LogP3.96
Rot. Bonds5

About [2-chloro-4-methylsulfonyl-3-(1,2-oxazol-3-yl)phenyl]-(5-cyclopropyl-1,2-thiazol-4-yl)methanone

[2-chloro-4-methylsulfonyl-3-(1,2-oxazol-3-yl)phenyl]-(5-cyclopropyl-1,2-thiazol-4-yl)methanone (PubChem CID 10993256) has the molecular formula C17H13ClN2O4S2 and a molecular weight of 408.89 g/mol. Its IUPAC name is [2-chloro-4-methylsulfonyl-3-(1,2-oxazol-3-yl)phenyl]-(5-cyclopropyl-1,2-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[2-chloro-4-methylsulfonyl-3-(1,2-oxazol-3-yl)phenyl]-(5-cyclopropyl-1,2-thiazol-4-yl)methanone
PubChem CID10993256
Molecular FormulaC17H13ClN2O4S2
Molecular Weight408.89 g/mol
Exact Mass408.00
IUPAC Name[2-chloro-4-methylsulfonyl-3-(1,2-oxazol-3-yl)phenyl]-(5-cyclopropyl-1,2-thiazol-4-yl)methanone
SMILESCS(=O)(=O)c1ccc(C(=O)c2cnsc2C2CC2)c(Cl)c1-c1ccon1
InChIInChI=1S/C17H13ClN2O4S2/c1-26(22,23)13-5-4-10(15(18)14(13)12-6-7-24-20-12)16(21)11-8-19-25-17(11)9-2-3-9/h4-9H,2-3H2,1H3
InChIKeyTVTVPYILTUEUDJ-UHFFFAOYSA-N
XLogP3.96
TPSA90.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.89
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [2-chloro-4-methylsulfonyl-3-(1,2-oxazol-3-yl)phenyl]-(5-cyclopropyl-1,2-thiazol-4-yl)methanone 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 [2-chloro-4-methylsulfonyl-3-(1,2-oxazol-3-yl)phenyl]-(5-cyclopropyl-1,2-thiazol-4-yl)methanone?
The IUPAC name of [2-chloro-4-methylsulfonyl-3-(1,2-oxazol-3-yl)phenyl]-(5-cyclopropyl-1,2-thiazol-4-yl)methanone (CID 10993256) is [2-chloro-4-methylsulfonyl-3-(1,2-oxazol-3-yl)phenyl]-(5-cyclopropyl-1,2-thiazol-4-yl)methanone.
What is the SMILES notation for [2-chloro-4-methylsulfonyl-3-(1,2-oxazol-3-yl)phenyl]-(5-cyclopropyl-1,2-thiazol-4-yl)methanone?
The canonical SMILES for [2-chloro-4-methylsulfonyl-3-(1,2-oxazol-3-yl)phenyl]-(5-cyclopropyl-1,2-thiazol-4-yl)methanone is CS(=O)(=O)c1ccc(C(=O)c2cnsc2C2CC2)c(Cl)c1-c1ccon1.
What is the InChIKey of [2-chloro-4-methylsulfonyl-3-(1,2-oxazol-3-yl)phenyl]-(5-cyclopropyl-1,2-thiazol-4-yl)methanone?
The InChIKey is TVTVPYILTUEUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O4S2/c1-26(22,23)13-5-4-10(15(18)14(13)12-6-7-24-20-12)16(21)11-8-19-25-17(11)9-2-3-9/h4-9H,2-3H2,1H3.
What are the key properties of [2-chloro-4-methylsulfonyl-3-(1,2-oxazol-3-yl)phenyl]-(5-cyclopropyl-1,2-thiazol-4-yl)methanone?
[2-chloro-4-methylsulfonyl-3-(1,2-oxazol-3-yl)phenyl]-(5-cyclopropyl-1,2-thiazol-4-yl)methanone has a molecular weight of 408.89 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-methylsulfonyl-3-(1,2-oxazol-3-yl)phenyl]-(5-cyclopropyl-1,2-thiazol-4-yl)methanone is sourced from PubChem (CID 10993256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).