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

C6H7NOS — CID 5324797

IUPAC1-(4-methyl-1,3-thiazol-2-yl)ethanone
SMILESCC(=O)c1nc(C)cs1
InChIInChI=1S/C6H7NOS/c1-4-3-9-6(7-4)5(2)8/h3H,1-2H3
InChIKeyQPUIPSFYQGKAFL-UHFFFAOYSA-N
MW141.19 g/mol
LogP1.65
Rot. Bonds1

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

1-(4-methyl-1,3-thiazol-2-yl)ethanone (PubChem CID 5324797) has the molecular formula C6H7NOS and a molecular weight of 141.19 g/mol. Its IUPAC name is 1-(4-methyl-1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-methyl-1,3-thiazol-2-yl)ethanone
PubChem CID5324797
Molecular FormulaC6H7NOS
Molecular Weight141.19 g/mol
Exact Mass141.02
IUPAC Name1-(4-methyl-1,3-thiazol-2-yl)ethanone
SMILESCC(=O)c1nc(C)cs1
InChIInChI=1S/C6H7NOS/c1-4-3-9-6(7-4)5(2)8/h3H,1-2H3
InChIKeyQPUIPSFYQGKAFL-UHFFFAOYSA-N
XLogP1.65
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-methyl-1,3-thiazol-2-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-methyl-1,3-thiazol-2-yl)ethanone?
The IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)ethanone (CID 5324797) is 1-(4-methyl-1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 1-(4-methyl-1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 1-(4-methyl-1,3-thiazol-2-yl)ethanone is CC(=O)c1nc(C)cs1.
What is the InChIKey of 1-(4-methyl-1,3-thiazol-2-yl)ethanone?
The InChIKey is QPUIPSFYQGKAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NOS/c1-4-3-9-6(7-4)5(2)8/h3H,1-2H3.
What are the key properties of 1-(4-methyl-1,3-thiazol-2-yl)ethanone?
1-(4-methyl-1,3-thiazol-2-yl)ethanone has a molecular weight of 141.19 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 5324797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).