1-(2,5-dimethylthiophen-3-yl)-2-(2-imino-1,3-thiazol-3-yl)ethanone

C11H12N2OS2 — CID 24801363

IUPAC1-(2,5-dimethylthiophen-3-yl)-2-(2-imino-1,3-thiazol-3-yl)ethanone
SMILES[H]/N=c1\sccn1CC(=O)c1cc(C)sc1C
InChIInChI=1S/C11H12N2OS2/c1-7-5-9(8(2)16-7)10(14)6-13-3-4-15-11(13)12/h3-5,12H,6H2,1-2H3/b12-11-
InChIKeyBRQALTMVPAUZGB-QXMHVHEDSA-N
MW252.36 g/mol
LogP2.59
Rot. Bonds3

About 1-(2,5-dimethylthiophen-3-yl)-2-(2-imino-1,3-thiazol-3-yl)ethanone

1-(2,5-dimethylthiophen-3-yl)-2-(2-imino-1,3-thiazol-3-yl)ethanone (PubChem CID 24801363) has the molecular formula C11H12N2OS2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-(2,5-dimethylthiophen-3-yl)-2-(2-imino-1,3-thiazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(2,5-dimethylthiophen-3-yl)-2-(2-imino-1,3-thiazol-3-yl)ethanone
PubChem CID24801363
Molecular FormulaC11H12N2OS2
Molecular Weight252.36 g/mol
Exact Mass252.04
IUPAC Name1-(2,5-dimethylthiophen-3-yl)-2-(2-imino-1,3-thiazol-3-yl)ethanone
SMILES[H]/N=c1\sccn1CC(=O)c1cc(C)sc1C
InChIInChI=1S/C11H12N2OS2/c1-7-5-9(8(2)16-7)10(14)6-13-3-4-15-11(13)12/h3-5,12H,6H2,1-2H3/b12-11-
InChIKeyBRQALTMVPAUZGB-QXMHVHEDSA-N
XLogP2.59
TPSA45.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2,5-dimethylthiophen-3-yl)-2-(2-imino-1,3-thiazol-3-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-(2,5-dimethylthiophen-3-yl)-2-(2-imino-1,3-thiazol-3-yl)ethanone?
The IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-2-(2-imino-1,3-thiazol-3-yl)ethanone (CID 24801363) is 1-(2,5-dimethylthiophen-3-yl)-2-(2-imino-1,3-thiazol-3-yl)ethanone.
What is the SMILES notation for 1-(2,5-dimethylthiophen-3-yl)-2-(2-imino-1,3-thiazol-3-yl)ethanone?
The canonical SMILES for 1-(2,5-dimethylthiophen-3-yl)-2-(2-imino-1,3-thiazol-3-yl)ethanone is [H]/N=c1\sccn1CC(=O)c1cc(C)sc1C.
What is the InChIKey of 1-(2,5-dimethylthiophen-3-yl)-2-(2-imino-1,3-thiazol-3-yl)ethanone?
The InChIKey is BRQALTMVPAUZGB-QXMHVHEDSA-N. The full InChI is InChI=1S/C11H12N2OS2/c1-7-5-9(8(2)16-7)10(14)6-13-3-4-15-11(13)12/h3-5,12H,6H2,1-2H3/b12-11-.
What are the key properties of 1-(2,5-dimethylthiophen-3-yl)-2-(2-imino-1,3-thiazol-3-yl)ethanone?
1-(2,5-dimethylthiophen-3-yl)-2-(2-imino-1,3-thiazol-3-yl)ethanone has a molecular weight of 252.36 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylthiophen-3-yl)-2-(2-imino-1,3-thiazol-3-yl)ethanone is sourced from PubChem (CID 24801363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).