1-[2-(3-methylanilino)-1,3-thiazol-5-yl]ethanone

C12H12N2OS — CID 1485162

IUPAC1-[2-(3-methylanilino)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1cnc(Nc2cccc(C)c2)s1
InChIInChI=1S/C12H12N2OS/c1-8-4-3-5-10(6-8)14-12-13-7-11(16-12)9(2)15/h3-7H,1-2H3,(H,13,14)
InChIKeyUHBXFYFYZKERCX-UHFFFAOYSA-N
MW232.31 g/mol
LogP3.40
Rot. Bonds3

About 1-[2-(3-methylanilino)-1,3-thiazol-5-yl]ethanone

1-[2-(3-methylanilino)-1,3-thiazol-5-yl]ethanone (PubChem CID 1485162) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is 1-[2-(3-methylanilino)-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(3-methylanilino)-1,3-thiazol-5-yl]ethanone
PubChem CID1485162
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC Name1-[2-(3-methylanilino)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1cnc(Nc2cccc(C)c2)s1
InChIInChI=1S/C12H12N2OS/c1-8-4-3-5-10(6-8)14-12-13-7-11(16-12)9(2)15/h3-7H,1-2H3,(H,13,14)
InChIKeyUHBXFYFYZKERCX-UHFFFAOYSA-N
XLogP3.40
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(3-methylanilino)-1,3-thiazol-5-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-(3-methylanilino)-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-(3-methylanilino)-1,3-thiazol-5-yl]ethanone (CID 1485162) is 1-[2-(3-methylanilino)-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-(3-methylanilino)-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-(3-methylanilino)-1,3-thiazol-5-yl]ethanone is CC(=O)c1cnc(Nc2cccc(C)c2)s1.
What is the InChIKey of 1-[2-(3-methylanilino)-1,3-thiazol-5-yl]ethanone?
The InChIKey is UHBXFYFYZKERCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS/c1-8-4-3-5-10(6-8)14-12-13-7-11(16-12)9(2)15/h3-7H,1-2H3,(H,13,14).
What are the key properties of 1-[2-(3-methylanilino)-1,3-thiazol-5-yl]ethanone?
1-[2-(3-methylanilino)-1,3-thiazol-5-yl]ethanone has a molecular weight of 232.31 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylanilino)-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 1485162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).