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

C11H10ClNOS — CID 116892268

IUPAC4-chloro-2-(4-methoxy-3-methylphenyl)-1,3-thiazole
SMILESCOc1ccc(-c2nc(Cl)cs2)cc1C
InChIInChI=1S/C11H10ClNOS/c1-7-5-8(3-4-9(7)14-2)11-13-10(12)6-15-11/h3-6H,1-2H3
InChIKeyCAVWWFNPVTUTAN-UHFFFAOYSA-N
MW239.73 g/mol
LogP3.78
Rot. Bonds2

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

4-chloro-2-(4-methoxy-3-methylphenyl)-1,3-thiazole (PubChem CID 116892268) has the molecular formula C11H10ClNOS and a molecular weight of 239.73 g/mol. Its IUPAC name is 4-chloro-2-(4-methoxy-3-methylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-chloro-2-(4-methoxy-3-methylphenyl)-1,3-thiazole
PubChem CID116892268
Molecular FormulaC11H10ClNOS
Molecular Weight239.73 g/mol
Exact Mass239.02
IUPAC Name4-chloro-2-(4-methoxy-3-methylphenyl)-1,3-thiazole
SMILESCOc1ccc(-c2nc(Cl)cs2)cc1C
InChIInChI=1S/C11H10ClNOS/c1-7-5-8(3-4-9(7)14-2)11-13-10(12)6-15-11/h3-6H,1-2H3
InChIKeyCAVWWFNPVTUTAN-UHFFFAOYSA-N
XLogP3.78
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.73
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxy-3-methylphenyl)-1,3-thiazol-4-ol
CID 116889737
N-[[2-(4-methoxy-3-methylphenyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 55039282
4-chloro-2-(2-methoxyphenyl)-1,3-thiazole
CID 83158767
2-bromo-4-(4-methoxy-3-methylphenyl)-1,3-thiazole
CID 82094050
4-(4-methoxy-3-methylphenyl)-2-pyridin-3-yl-1,3-thiazole
CID 885223
methane;1-methoxy-4-(4-methoxy-3-methylphenyl)-2-methylbenzene
CID 161175155
4-chloro-2-(4-chlorophenyl)-1,3-thiazole
CID 83158200
4-chloro-2-(3-fluoro-5-methylphenyl)-1,3-thiazole
CID 83157998
4-chloro-2-(4-methoxy-2,3,5-trimethylphenyl)-1,3-thiazole
CID 116892294
[2-(4-methoxy-3-methylphenyl)-4-methyl-1,3-thiazol-5-yl]hydrazine
CID 116887770
2-(3,4-dimethoxyphenyl)-4-phenyl-1,3-thiazole
CID 1147052
2-(3,4-dimethoxyphenyl)-4-propan-2-yl-1,3-thiazole
CID 112690133

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-methoxy-3-methylphenyl)-1,3-thiazole?
The IUPAC name of 4-chloro-2-(4-methoxy-3-methylphenyl)-1,3-thiazole (CID 116892268) is 4-chloro-2-(4-methoxy-3-methylphenyl)-1,3-thiazole.
What is the SMILES notation for 4-chloro-2-(4-methoxy-3-methylphenyl)-1,3-thiazole?
The canonical SMILES for 4-chloro-2-(4-methoxy-3-methylphenyl)-1,3-thiazole is COc1ccc(-c2nc(Cl)cs2)cc1C.
What is the InChIKey of 4-chloro-2-(4-methoxy-3-methylphenyl)-1,3-thiazole?
The InChIKey is CAVWWFNPVTUTAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNOS/c1-7-5-8(3-4-9(7)14-2)11-13-10(12)6-15-11/h3-6H,1-2H3.
What are the key properties of 4-chloro-2-(4-methoxy-3-methylphenyl)-1,3-thiazole?
4-chloro-2-(4-methoxy-3-methylphenyl)-1,3-thiazole has a molecular weight of 239.73 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-methoxy-3-methylphenyl)-1,3-thiazole is sourced from PubChem (CID 116892268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).