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

C12H12ClNOS — CID 116968103

IUPAC2-chloro-4-(2-methoxy-3,5-dimethylphenyl)-1,3-thiazole
SMILESCOc1c(C)cc(C)cc1-c1csc(Cl)n1
InChIInChI=1S/C12H12ClNOS/c1-7-4-8(2)11(15-3)9(5-7)10-6-16-12(13)14-10/h4-6H,1-3H3
InChIKeySBTBQOUSAXSVSB-UHFFFAOYSA-N
MW253.75 g/mol
LogP4.09
Rot. Bonds2

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

2-chloro-4-(2-methoxy-3,5-dimethylphenyl)-1,3-thiazole (PubChem CID 116968103) has the molecular formula C12H12ClNOS and a molecular weight of 253.75 g/mol. Its IUPAC name is 2-chloro-4-(2-methoxy-3,5-dimethylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-4-(2-methoxy-3,5-dimethylphenyl)-1,3-thiazole
PubChem CID116968103
Molecular FormulaC12H12ClNOS
Molecular Weight253.75 g/mol
Exact Mass253.03
IUPAC Name2-chloro-4-(2-methoxy-3,5-dimethylphenyl)-1,3-thiazole
SMILESCOc1c(C)cc(C)cc1-c1csc(Cl)n1
InChIInChI=1S/C12H12ClNOS/c1-7-4-8(2)11(15-3)9(5-7)10-6-16-12(13)14-10/h4-6H,1-3H3
InChIKeySBTBQOUSAXSVSB-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

1-[4-(2-methoxy-3,5-dimethylphenyl)-1,3-thiazol-2-yl]ethanone
CID 82302277
2-[4-(2-methoxy-3,5-dimethylphenyl)-1,3-thiazol-2-yl]ethanamine
CID 4031915
4-(5-chloro-2-methoxy-3-methylphenyl)-2-methyl-1,3-thiazole
CID 116967848
2-chloro-4-(2-methoxy-3,4,6-trimethylphenyl)-1,3-thiazole
CID 116968145
2-(bromomethyl)-4-(5-chloro-2-methoxy-3-methylphenyl)-1,3-thiazole
CID 116970319
5-(2-methoxy-3,5-dimethylphenyl)-3-methyl-1,2-oxazole
CID 116868943
4-(2-methoxy-3,5-dimethylphenyl)-2-methylpyrimidine
CID 116903911
2-[4-(5-chloro-2-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 3346581
2-chloro-4-(2-chloro-5-fluoro-4-methylphenyl)-1,3-thiazole
CID 116968150
[4-(2-ethoxy-3,5-dimethylphenyl)-1,3-thiazol-2-yl]methanamine
CID 5039538
5-(2-methoxy-3,5-dimethylphenyl)-1,2-oxazole-3-carboxylic acid
CID 82295702
5-(2-methoxy-3,5-dimethylphenyl)-1,2-oxazole-3-carbonitrile
CID 116858895

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-methoxy-3,5-dimethylphenyl)-1,3-thiazole?
The IUPAC name of 2-chloro-4-(2-methoxy-3,5-dimethylphenyl)-1,3-thiazole (CID 116968103) is 2-chloro-4-(2-methoxy-3,5-dimethylphenyl)-1,3-thiazole.
What is the SMILES notation for 2-chloro-4-(2-methoxy-3,5-dimethylphenyl)-1,3-thiazole?
The canonical SMILES for 2-chloro-4-(2-methoxy-3,5-dimethylphenyl)-1,3-thiazole is COc1c(C)cc(C)cc1-c1csc(Cl)n1.
What is the InChIKey of 2-chloro-4-(2-methoxy-3,5-dimethylphenyl)-1,3-thiazole?
The InChIKey is SBTBQOUSAXSVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNOS/c1-7-4-8(2)11(15-3)9(5-7)10-6-16-12(13)14-10/h4-6H,1-3H3.
What are the key properties of 2-chloro-4-(2-methoxy-3,5-dimethylphenyl)-1,3-thiazole?
2-chloro-4-(2-methoxy-3,5-dimethylphenyl)-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 2-chloro-4-(2-methoxy-3,5-dimethylphenyl)-1,3-thiazole is sourced from PubChem (CID 116968103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).