1-(2-chloro-1,3-thiazol-4-yl)ethanone

C5H4ClNOS — CID 53444051

IUPAC1-(2-chloro-1,3-thiazol-4-yl)ethanone
SMILESCC(=O)c1csc(Cl)n1
InChIInChI=1S/C5H4ClNOS/c1-3(8)4-2-9-5(6)7-4/h2H,1H3
InChIKeyOVFBRHYGFKFHCW-UHFFFAOYSA-N
MW161.61 g/mol
LogP2.00
Rot. Bonds1

About 1-(2-chloro-1,3-thiazol-4-yl)ethanone

1-(2-chloro-1,3-thiazol-4-yl)ethanone (PubChem CID 53444051) has the molecular formula C5H4ClNOS and a molecular weight of 161.61 g/mol. Its IUPAC name is 1-(2-chloro-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(2-chloro-1,3-thiazol-4-yl)ethanone
PubChem CID53444051
Molecular FormulaC5H4ClNOS
Molecular Weight161.61 g/mol
Exact Mass160.97
IUPAC Name1-(2-chloro-1,3-thiazol-4-yl)ethanone
SMILESCC(=O)c1csc(Cl)n1
InChIInChI=1S/C5H4ClNOS/c1-3(8)4-2-9-5(6)7-4/h2H,1H3
InChIKeyOVFBRHYGFKFHCW-UHFFFAOYSA-N
XLogP2.00
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.61
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2-chloro-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-(2-chloro-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 1-(2-chloro-1,3-thiazol-4-yl)ethanone (CID 53444051) is 1-(2-chloro-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 1-(2-chloro-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 1-(2-chloro-1,3-thiazol-4-yl)ethanone is CC(=O)c1csc(Cl)n1.
What is the InChIKey of 1-(2-chloro-1,3-thiazol-4-yl)ethanone?
The InChIKey is OVFBRHYGFKFHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClNOS/c1-3(8)4-2-9-5(6)7-4/h2H,1H3.
What are the key properties of 1-(2-chloro-1,3-thiazol-4-yl)ethanone?
1-(2-chloro-1,3-thiazol-4-yl)ethanone has a molecular weight of 161.61 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 53444051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).