2-(2-imino-1,3-thiazol-3-yl)-1-(4-methylphenyl)ethanone

C12H12N2OS — CID 6610663

IUPAC2-(2-imino-1,3-thiazol-3-yl)-1-(4-methylphenyl)ethanone
SMILES[H]/N=c1\sccn1CC(=O)c1ccc(C)cc1
InChIInChI=1S/C12H12N2OS/c1-9-2-4-10(5-3-9)11(15)8-14-6-7-16-12(14)13/h2-7,13H,8H2,1H3/b13-12-
InChIKeyPTZWXORODWEITB-SEYXRHQNSA-N
MW232.31 g/mol
LogP2.22
Rot. Bonds3

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

2-(2-imino-1,3-thiazol-3-yl)-1-(4-methylphenyl)ethanone (PubChem CID 6610663) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is 2-(2-imino-1,3-thiazol-3-yl)-1-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(2-imino-1,3-thiazol-3-yl)-1-(4-methylphenyl)ethanone
PubChem CID6610663
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC Name2-(2-imino-1,3-thiazol-3-yl)-1-(4-methylphenyl)ethanone
SMILES[H]/N=c1\sccn1CC(=O)c1ccc(C)cc1
InChIInChI=1S/C12H12N2OS/c1-9-2-4-10(5-3-9)11(15)8-14-6-7-16-12(14)13/h2-7,13H,8H2,1H3/b13-12-
InChIKeyPTZWXORODWEITB-SEYXRHQNSA-N
XLogP2.22
TPSA45.85 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 ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-imino-1,3-thiazol-3-yl)-1-(4-methylphenyl)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 2-(2-imino-1,3-thiazol-3-yl)-1-(4-methylphenyl)ethanone?
The IUPAC name of 2-(2-imino-1,3-thiazol-3-yl)-1-(4-methylphenyl)ethanone (CID 6610663) is 2-(2-imino-1,3-thiazol-3-yl)-1-(4-methylphenyl)ethanone.
What is the SMILES notation for 2-(2-imino-1,3-thiazol-3-yl)-1-(4-methylphenyl)ethanone?
The canonical SMILES for 2-(2-imino-1,3-thiazol-3-yl)-1-(4-methylphenyl)ethanone is [H]/N=c1\sccn1CC(=O)c1ccc(C)cc1.
What is the InChIKey of 2-(2-imino-1,3-thiazol-3-yl)-1-(4-methylphenyl)ethanone?
The InChIKey is PTZWXORODWEITB-SEYXRHQNSA-N. The full InChI is InChI=1S/C12H12N2OS/c1-9-2-4-10(5-3-9)11(15)8-14-6-7-16-12(14)13/h2-7,13H,8H2,1H3/b13-12-.
What are the key properties of 2-(2-imino-1,3-thiazol-3-yl)-1-(4-methylphenyl)ethanone?
2-(2-imino-1,3-thiazol-3-yl)-1-(4-methylphenyl)ethanone has a molecular weight of 232.31 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-imino-1,3-thiazol-3-yl)-1-(4-methylphenyl)ethanone is sourced from PubChem (CID 6610663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).