1-(3-chloro-2-methylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone

C14H14ClNOS — CID 107101754

IUPAC1-(3-chloro-2-methylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone
SMILESCc1nc(CC(=O)c2cccc(Cl)c2C)sc1C
InChIInChI=1S/C14H14ClNOS/c1-8-11(5-4-6-12(8)15)13(17)7-14-16-9(2)10(3)18-14/h4-6H,7H2,1-3H3
InChIKeyZHVVHOQWOWBHFS-UHFFFAOYSA-N
MW279.79 g/mol
LogP4.15
Rot. Bonds3

About 1-(3-chloro-2-methylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone

1-(3-chloro-2-methylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone (PubChem CID 107101754) has the molecular formula C14H14ClNOS and a molecular weight of 279.79 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone
PubChem CID107101754
Molecular FormulaC14H14ClNOS
Molecular Weight279.79 g/mol
Exact Mass279.05
IUPAC Name1-(3-chloro-2-methylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone
SMILESCc1nc(CC(=O)c2cccc(Cl)c2C)sc1C
InChIInChI=1S/C14H14ClNOS/c1-8-11(5-4-6-12(8)15)13(17)7-14-16-9(2)10(3)18-14/h4-6H,7H2,1-3H3
InChIKeyZHVVHOQWOWBHFS-UHFFFAOYSA-N
XLogP4.15
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.79
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3-chloro-2-methylphenyl)-2-(4,5-dimethyl-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

Related Compounds

1-(2,3-dimethylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone
CID 115789426
1-(2-chlorofuran-3-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone
CID 106691198
2-(4-tert-butyl-1,3-thiazol-2-yl)-1-(3-chloro-2-methylphenyl)ethanone
CID 107101733
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-phenylethanone;hydrobromide
CID 174879579
1-(3-aminonaphthalen-2-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone
CID 116560381
2-(5-bromothiophen-2-yl)-1-(3-chloro-2-methylphenyl)ethanone
CID 107101557
1-(3-chloro-4-methylthiophen-2-yl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone
CID 103407837
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-methoxy-5-methylphenyl)ethanone
CID 115789523
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-methylsulfonylphenyl)ethanone
CID 115789501
1-(4-amino-2-bromophenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone
CID 112736182
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-ethylthiophen-2-yl)ethanone
CID 115789405
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-methylsulfanylphenyl)ethanone
CID 115789519

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone?
The IUPAC name of 1-(3-chloro-2-methylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone (CID 107101754) is 1-(3-chloro-2-methylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone is Cc1nc(CC(=O)c2cccc(Cl)c2C)sc1C.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone?
The InChIKey is ZHVVHOQWOWBHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNOS/c1-8-11(5-4-6-12(8)15)13(17)7-14-16-9(2)10(3)18-14/h4-6H,7H2,1-3H3.
What are the key properties of 1-(3-chloro-2-methylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone?
1-(3-chloro-2-methylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone has a molecular weight of 279.79 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylphenyl)-2-(4,5-dimethyl-1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 107101754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).