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

C13H14ClNS — CID 116887984

IUPAC5-chloro-4-methyl-2-(2,4,6-trimethylphenyl)-1,3-thiazole
SMILESCc1cc(C)c(-c2nc(C)c(Cl)s2)c(C)c1
InChIInChI=1S/C13H14ClNS/c1-7-5-8(2)11(9(3)6-7)13-15-10(4)12(14)16-13/h5-6H,1-4H3
InChIKeyPKSYQRGONGWXOG-UHFFFAOYSA-N
MW251.78 g/mol
LogP4.70
Rot. Bonds1

About 5-chloro-4-methyl-2-(2,4,6-trimethylphenyl)-1,3-thiazole

5-chloro-4-methyl-2-(2,4,6-trimethylphenyl)-1,3-thiazole (PubChem CID 116887984) has the molecular formula C13H14ClNS and a molecular weight of 251.78 g/mol. Its IUPAC name is 5-chloro-4-methyl-2-(2,4,6-trimethylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name5-chloro-4-methyl-2-(2,4,6-trimethylphenyl)-1,3-thiazole
PubChem CID116887984
Molecular FormulaC13H14ClNS
Molecular Weight251.78 g/mol
Exact Mass251.05
IUPAC Name5-chloro-4-methyl-2-(2,4,6-trimethylphenyl)-1,3-thiazole
SMILESCc1cc(C)c(-c2nc(C)c(Cl)s2)c(C)c1
InChIInChI=1S/C13H14ClNS/c1-7-5-8(2)11(9(3)6-7)13-15-10(4)12(14)16-13/h5-6H,1-4H3
InChIKeyPKSYQRGONGWXOG-UHFFFAOYSA-N
XLogP4.70
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.78
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[4-methyl-2-(2,4,6-trimethylphenyl)-1,3-thiazol-5-yl]ethanamine
CID 61280133
4-chloro-2-(2,4,6-trimethylphenyl)-1,3-thiazole
CID 83158896
2-(4-bromothiophen-2-yl)-5-chloro-4-methyl-1,3-thiazole
CID 116888006
4-methyl-2-(2,4,6-trimethylphenyl)-1,3-thiazole
CID 116891883
5-chloro-2,4-dimethyl-1,3-thiazole
CID 20719823
2-[4-bromo-2-(2,4,6-trimethylphenyl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 84612057
5-chloro-2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole
CID 116887988
[2-(2-methoxy-4,6-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]methanamine
CID 116868171
2-(2,4,6-trimethylphenyl)-1,3-thiazol-4-ol
CID 116889763
2-[5-bromo-2-(2,4,6-trimethylphenyl)-1,3-thiazol-4-yl]ethanamine
CID 84606530
2-(2,4,6-trimethylphenyl)-1,3-benzothiazole-6-carboxylic acid
CID 107470389
methyl 5-acetyl-2-(2,4,6-trimethylphenyl)-1,3-thiazole-4-carboxylate
CID 106695998

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-methyl-2-(2,4,6-trimethylphenyl)-1,3-thiazole?
The IUPAC name of 5-chloro-4-methyl-2-(2,4,6-trimethylphenyl)-1,3-thiazole (CID 116887984) is 5-chloro-4-methyl-2-(2,4,6-trimethylphenyl)-1,3-thiazole.
What is the SMILES notation for 5-chloro-4-methyl-2-(2,4,6-trimethylphenyl)-1,3-thiazole?
The canonical SMILES for 5-chloro-4-methyl-2-(2,4,6-trimethylphenyl)-1,3-thiazole is Cc1cc(C)c(-c2nc(C)c(Cl)s2)c(C)c1.
What is the InChIKey of 5-chloro-4-methyl-2-(2,4,6-trimethylphenyl)-1,3-thiazole?
The InChIKey is PKSYQRGONGWXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNS/c1-7-5-8(2)11(9(3)6-7)13-15-10(4)12(14)16-13/h5-6H,1-4H3.
What are the key properties of 5-chloro-4-methyl-2-(2,4,6-trimethylphenyl)-1,3-thiazole?
5-chloro-4-methyl-2-(2,4,6-trimethylphenyl)-1,3-thiazole has a molecular weight of 251.78 g/mol, XLogP of 4.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-methyl-2-(2,4,6-trimethylphenyl)-1,3-thiazole is sourced from PubChem (CID 116887984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).