4-chloro-2-(2,4,6-trimethylphenyl)-1,3-thiazole

C12H12ClNS — CID 83158896

IUPAC4-chloro-2-(2,4,6-trimethylphenyl)-1,3-thiazole
SMILESCc1cc(C)c(-c2nc(Cl)cs2)c(C)c1
InChIInChI=1S/C12H12ClNS/c1-7-4-8(2)11(9(3)5-7)12-14-10(13)6-15-12/h4-6H,1-3H3
InChIKeyJFOVQGQXJBUUNY-UHFFFAOYSA-N
MW237.75 g/mol
LogP4.39
Rot. Bonds1

About 4-chloro-2-(2,4,6-trimethylphenyl)-1,3-thiazole

4-chloro-2-(2,4,6-trimethylphenyl)-1,3-thiazole (PubChem CID 83158896) has the molecular formula C12H12ClNS and a molecular weight of 237.75 g/mol. Its IUPAC name is 4-chloro-2-(2,4,6-trimethylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-chloro-2-(2,4,6-trimethylphenyl)-1,3-thiazole
PubChem CID83158896
Molecular FormulaC12H12ClNS
Molecular Weight237.75 g/mol
Exact Mass237.04
IUPAC Name4-chloro-2-(2,4,6-trimethylphenyl)-1,3-thiazole
SMILESCc1cc(C)c(-c2nc(Cl)cs2)c(C)c1
InChIInChI=1S/C12H12ClNS/c1-7-4-8(2)11(9(3)5-7)12-14-10(13)6-15-12/h4-6H,1-3H3
InChIKeyJFOVQGQXJBUUNY-UHFFFAOYSA-N
XLogP4.39
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.75
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,4,6-trimethylphenyl)-1,3-thiazole?
The IUPAC name of 4-chloro-2-(2,4,6-trimethylphenyl)-1,3-thiazole (CID 83158896) is 4-chloro-2-(2,4,6-trimethylphenyl)-1,3-thiazole.
What is the SMILES notation for 4-chloro-2-(2,4,6-trimethylphenyl)-1,3-thiazole?
The canonical SMILES for 4-chloro-2-(2,4,6-trimethylphenyl)-1,3-thiazole is Cc1cc(C)c(-c2nc(Cl)cs2)c(C)c1.
What is the InChIKey of 4-chloro-2-(2,4,6-trimethylphenyl)-1,3-thiazole?
The InChIKey is JFOVQGQXJBUUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNS/c1-7-4-8(2)11(9(3)5-7)12-14-10(13)6-15-12/h4-6H,1-3H3.
What are the key properties of 4-chloro-2-(2,4,6-trimethylphenyl)-1,3-thiazole?
4-chloro-2-(2,4,6-trimethylphenyl)-1,3-thiazole has a molecular weight of 237.75 g/mol, XLogP of 4.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,4,6-trimethylphenyl)-1,3-thiazole is sourced from PubChem (CID 83158896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).