4-(3-chloro-6-methoxy-2,4-dimethylphenyl)-3H-1,3-thiazol-2-one

C12H12ClNO2S — CID 116966090

IUPAC4-(3-chloro-6-methoxy-2,4-dimethylphenyl)-3H-1,3-thiazol-2-one
SMILESCOc1cc(C)c(Cl)c(C)c1-c1csc(=O)[nH]1
InChIInChI=1S/C12H12ClNO2S/c1-6-4-9(16-3)10(7(2)11(6)13)8-5-17-12(15)14-8/h4-5H,1-3H3,(H,14,15)
InChIKeySTMFKNYDBYJFEM-UHFFFAOYSA-N
MW269.75 g/mol
LogP3.38
Rot. Bonds2

About 4-(3-chloro-6-methoxy-2,4-dimethylphenyl)-3H-1,3-thiazol-2-one

4-(3-chloro-6-methoxy-2,4-dimethylphenyl)-3H-1,3-thiazol-2-one (PubChem CID 116966090) has the molecular formula C12H12ClNO2S and a molecular weight of 269.75 g/mol. Its IUPAC name is 4-(3-chloro-6-methoxy-2,4-dimethylphenyl)-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-(3-chloro-6-methoxy-2,4-dimethylphenyl)-3H-1,3-thiazol-2-one
PubChem CID116966090
Molecular FormulaC12H12ClNO2S
Molecular Weight269.75 g/mol
Exact Mass269.03
IUPAC Name4-(3-chloro-6-methoxy-2,4-dimethylphenyl)-3H-1,3-thiazol-2-one
SMILESCOc1cc(C)c(Cl)c(C)c1-c1csc(=O)[nH]1
InChIInChI=1S/C12H12ClNO2S/c1-6-4-9(16-3)10(7(2)11(6)13)8-5-17-12(15)14-8/h4-5H,1-3H3,(H,14,15)
InChIKeySTMFKNYDBYJFEM-UHFFFAOYSA-N
XLogP3.38
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.75
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-chloro-2-methoxyphenyl)-3H-1,3-thiazol-2-one
CID 82084785
4-bromo-2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-1,3-thiazole
CID 116892207
4-(2,5-dimethylphenyl)-3H-1,3-thiazol-2-one
CID 11084984
4-(2,5-dimethoxyphenyl)-3H-1,3-thiazol-2-one
CID 43286773
4-(5-chloro-2-methoxy-4-methylphenyl)-3H-1,3-thiazole-2-thione
CID 95474697
2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-6-methylpyrimidin-4-amine
CID 95481914
4-chloro-1,2,3-trimethoxy-5-methylbenzene;ethane
CID 145244698
N-(3-chloro-6-methoxy-2,4-dimethylphenyl)-N-methyl-2-oxopropanamide
CID 115175491
2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-oxoacetamide
CID 116924450
2-(3-chloro-6-methoxy-2,4-dimethylphenyl)aziridine
CID 82470889
3-(3-chloro-6-methoxy-2,4-dimethylphenyl)piperazin-2-one
CID 82305275
2-(3-chloro-6-methoxy-2,4-dimethylphenyl)prop-2-enoic acid
CID 82292853

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-6-methoxy-2,4-dimethylphenyl)-3H-1,3-thiazol-2-one?
The IUPAC name of 4-(3-chloro-6-methoxy-2,4-dimethylphenyl)-3H-1,3-thiazol-2-one (CID 116966090) is 4-(3-chloro-6-methoxy-2,4-dimethylphenyl)-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-(3-chloro-6-methoxy-2,4-dimethylphenyl)-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-(3-chloro-6-methoxy-2,4-dimethylphenyl)-3H-1,3-thiazol-2-one is COc1cc(C)c(Cl)c(C)c1-c1csc(=O)[nH]1.
What is the InChIKey of 4-(3-chloro-6-methoxy-2,4-dimethylphenyl)-3H-1,3-thiazol-2-one?
The InChIKey is STMFKNYDBYJFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO2S/c1-6-4-9(16-3)10(7(2)11(6)13)8-5-17-12(15)14-8/h4-5H,1-3H3,(H,14,15).
What are the key properties of 4-(3-chloro-6-methoxy-2,4-dimethylphenyl)-3H-1,3-thiazol-2-one?
4-(3-chloro-6-methoxy-2,4-dimethylphenyl)-3H-1,3-thiazol-2-one has a molecular weight of 269.75 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-6-methoxy-2,4-dimethylphenyl)-3H-1,3-thiazol-2-one is sourced from PubChem (CID 116966090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).