1-(2,4-dichlorophenyl)-2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)ethanone

C13H13Cl2NOS — CID 91191587

IUPAC1-(2,4-dichlorophenyl)-2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)ethanone
SMILESCC1=C(C)N(CC(=O)c2ccc(Cl)cc2Cl)CS1
InChIInChI=1S/C13H13Cl2NOS/c1-8-9(2)18-7-16(8)6-13(17)11-4-3-10(14)5-12(11)15/h3-5H,6-7H2,1-2H3
InChIKeyLZWGXBXCHDKESH-UHFFFAOYSA-N
MW302.23 g/mol
LogP4.43
Rot. Bonds3

About 1-(2,4-dichlorophenyl)-2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)ethanone

1-(2,4-dichlorophenyl)-2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)ethanone (PubChem CID 91191587) has the molecular formula C13H13Cl2NOS and a molecular weight of 302.23 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)ethanone
PubChem CID91191587
Molecular FormulaC13H13Cl2NOS
Molecular Weight302.23 g/mol
Exact Mass301.01
IUPAC Name1-(2,4-dichlorophenyl)-2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)ethanone
SMILESCC1=C(C)N(CC(=O)c2ccc(Cl)cc2Cl)CS1
InChIInChI=1S/C13H13Cl2NOS/c1-8-9(2)18-7-16(8)6-13(17)11-4-3-10(14)5-12(11)15/h3-5H,6-7H2,1-2H3
InChIKeyLZWGXBXCHDKESH-UHFFFAOYSA-N
XLogP4.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.23
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2,4-dichlorophenyl)-2-(4,5-dimethyl-2H-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-(2,4-dichlorophenyl)-2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)ethanone?
The IUPAC name of 1-(2,4-dichlorophenyl)-2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)ethanone (CID 91191587) is 1-(2,4-dichlorophenyl)-2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)ethanone.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)ethanone?
The canonical SMILES for 1-(2,4-dichlorophenyl)-2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)ethanone is CC1=C(C)N(CC(=O)c2ccc(Cl)cc2Cl)CS1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)ethanone?
The InChIKey is LZWGXBXCHDKESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NOS/c1-8-9(2)18-7-16(8)6-13(17)11-4-3-10(14)5-12(11)15/h3-5H,6-7H2,1-2H3.
What are the key properties of 1-(2,4-dichlorophenyl)-2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)ethanone?
1-(2,4-dichlorophenyl)-2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)ethanone has a molecular weight of 302.23 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-2-(4,5-dimethyl-2H-1,3-thiazol-3-yl)ethanone is sourced from PubChem (CID 91191587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).