4-(5-chloro-2-methoxy-3-methylphenyl)-2-methyl-1,3-thiazole

C12H12ClNOS — CID 116967848

IUPAC4-(5-chloro-2-methoxy-3-methylphenyl)-2-methyl-1,3-thiazole
SMILESCOc1c(C)cc(Cl)cc1-c1csc(C)n1
InChIInChI=1S/C12H12ClNOS/c1-7-4-9(13)5-10(12(7)15-3)11-6-16-8(2)14-11/h4-6H,1-3H3
InChIKeyLDFSKIMZSQGBCG-UHFFFAOYSA-N
MW253.75 g/mol
LogP4.09
Rot. Bonds2

About 4-(5-chloro-2-methoxy-3-methylphenyl)-2-methyl-1,3-thiazole

4-(5-chloro-2-methoxy-3-methylphenyl)-2-methyl-1,3-thiazole (PubChem CID 116967848) has the molecular formula C12H12ClNOS and a molecular weight of 253.75 g/mol. Its IUPAC name is 4-(5-chloro-2-methoxy-3-methylphenyl)-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-(5-chloro-2-methoxy-3-methylphenyl)-2-methyl-1,3-thiazole
PubChem CID116967848
Molecular FormulaC12H12ClNOS
Molecular Weight253.75 g/mol
Exact Mass253.03
IUPAC Name4-(5-chloro-2-methoxy-3-methylphenyl)-2-methyl-1,3-thiazole
SMILESCOc1c(C)cc(Cl)cc1-c1csc(C)n1
InChIInChI=1S/C12H12ClNOS/c1-7-4-9(13)5-10(12(7)15-3)11-6-16-8(2)14-11/h4-6H,1-3H3
InChIKeyLDFSKIMZSQGBCG-UHFFFAOYSA-N
XLogP4.09
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.75
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(bromomethyl)-4-(5-chloro-2-methoxy-3-methylphenyl)-1,3-thiazole
CID 116970319
2-[4-(5-chloro-2-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 3346581
2-chloro-4-(2-methoxy-3,5-dimethylphenyl)-1,3-thiazole
CID 116968103
4-(2-methoxy-4,5-dimethylphenyl)-2-methyl-1,3-thiazole
CID 82129096
4-(4-methoxy-2,5-dimethylphenyl)-2-methyl-1,3-thiazole
CID 82129098
2-methoxy-3-methyl-5-(2-methyl-1,3-thiazol-4-yl)aniline
CID 82276097
4-(5-chloro-2-methoxy-3-methylphenyl)-2-ethyltriazole
CID 167276473
[6-(5-chloro-2-methoxy-3-methylphenyl)pyridazin-3-yl]methanamine
CID 82303524
1-[4-(2-methoxy-3,5-dimethylphenyl)-1,3-thiazol-2-yl]ethanone
CID 82302277
4-(2-chloro-5-fluoro-4-methylphenyl)-2-methyl-1,3-thiazole
CID 116967902
2-[3-(5-chloro-2-methoxy-3-methylphenyl)-1H-pyrazol-5-yl]ethanamine
CID 82486872
2-[4-(2-methoxy-3,5-dimethylphenyl)-1,3-thiazol-2-yl]ethanamine
CID 4031915

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-methoxy-3-methylphenyl)-2-methyl-1,3-thiazole?
The IUPAC name of 4-(5-chloro-2-methoxy-3-methylphenyl)-2-methyl-1,3-thiazole (CID 116967848) is 4-(5-chloro-2-methoxy-3-methylphenyl)-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-(5-chloro-2-methoxy-3-methylphenyl)-2-methyl-1,3-thiazole?
The canonical SMILES for 4-(5-chloro-2-methoxy-3-methylphenyl)-2-methyl-1,3-thiazole is COc1c(C)cc(Cl)cc1-c1csc(C)n1.
What is the InChIKey of 4-(5-chloro-2-methoxy-3-methylphenyl)-2-methyl-1,3-thiazole?
The InChIKey is LDFSKIMZSQGBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNOS/c1-7-4-9(13)5-10(12(7)15-3)11-6-16-8(2)14-11/h4-6H,1-3H3.
What are the key properties of 4-(5-chloro-2-methoxy-3-methylphenyl)-2-methyl-1,3-thiazole?
4-(5-chloro-2-methoxy-3-methylphenyl)-2-methyl-1,3-thiazole has a molecular weight of 253.75 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-methoxy-3-methylphenyl)-2-methyl-1,3-thiazole is sourced from PubChem (CID 116967848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).