2-(2,4,6-trimethylphenyl)-1,3-thiazol-4-ol

C12H13NOS — CID 116889763

IUPAC2-(2,4,6-trimethylphenyl)-1,3-thiazol-4-ol
SMILESCc1cc(C)c(-c2nc(O)cs2)c(C)c1
InChIInChI=1S/C12H13NOS/c1-7-4-8(2)11(9(3)5-7)12-13-10(14)6-15-12/h4-6,14H,1-3H3
InChIKeyJLBAKZARCWTKGY-UHFFFAOYSA-N
MW219.31 g/mol
LogP3.44
Rot. Bonds1

About 2-(2,4,6-trimethylphenyl)-1,3-thiazol-4-ol

2-(2,4,6-trimethylphenyl)-1,3-thiazol-4-ol (PubChem CID 116889763) has the molecular formula C12H13NOS and a molecular weight of 219.31 g/mol. Its IUPAC name is 2-(2,4,6-trimethylphenyl)-1,3-thiazol-4-ol.

Molecular Properties

Compound Name2-(2,4,6-trimethylphenyl)-1,3-thiazol-4-ol
PubChem CID116889763
Molecular FormulaC12H13NOS
Molecular Weight219.31 g/mol
Exact Mass219.07
IUPAC Name2-(2,4,6-trimethylphenyl)-1,3-thiazol-4-ol
SMILESCc1cc(C)c(-c2nc(O)cs2)c(C)c1
InChIInChI=1S/C12H13NOS/c1-7-4-8(2)11(9(3)5-7)12-13-10(14)6-15-12/h4-6,14H,1-3H3
InChIKeyJLBAKZARCWTKGY-UHFFFAOYSA-N
XLogP3.44
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-tert-butyl-2,6-dimethylphenyl)-1,3-thiazol-4-ol
CID 116889795
4-methyl-2-(2,4,6-trimethylphenyl)-1,3-thiazole
CID 116891883
4-chloro-2-(2,4,6-trimethylphenyl)-1,3-thiazole
CID 83158896
3-[2-(2,4,6-trimethylphenyl)-1,3-thiazol-4-yl]propan-1-ol
CID 116889146
2-amino-2-[2-(2,4,6-trimethylphenyl)-1,3-thiazol-4-yl]acetic acid
CID 104527032
2-(2-fluoro-4-methylphenyl)-1,3-thiazol-4-ol
CID 130501515
2-(4-methoxy-3-methylphenyl)-1,3-thiazol-4-ol
CID 116889737
2-(6-methoxypyrimidin-4-yl)-1,3-thiazol-4-ol
CID 130501534
[2-(2-methoxy-4,6-dimethylphenyl)-1,3-thiazol-4-yl]hydrazine
CID 116892118
5-chloro-4-methyl-2-(2,4,6-trimethylphenyl)-1,3-thiazole
CID 116887984
2-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetic acid
CID 4316740
2-phenyl-1,3-thiazol-4-ol
CID 568728

Frequently Asked Questions

What is the IUPAC name of 2-(2,4,6-trimethylphenyl)-1,3-thiazol-4-ol?
The IUPAC name of 2-(2,4,6-trimethylphenyl)-1,3-thiazol-4-ol (CID 116889763) is 2-(2,4,6-trimethylphenyl)-1,3-thiazol-4-ol.
What is the SMILES notation for 2-(2,4,6-trimethylphenyl)-1,3-thiazol-4-ol?
The canonical SMILES for 2-(2,4,6-trimethylphenyl)-1,3-thiazol-4-ol is Cc1cc(C)c(-c2nc(O)cs2)c(C)c1.
What is the InChIKey of 2-(2,4,6-trimethylphenyl)-1,3-thiazol-4-ol?
The InChIKey is JLBAKZARCWTKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NOS/c1-7-4-8(2)11(9(3)5-7)12-13-10(14)6-15-12/h4-6,14H,1-3H3.
What are the key properties of 2-(2,4,6-trimethylphenyl)-1,3-thiazol-4-ol?
2-(2,4,6-trimethylphenyl)-1,3-thiazol-4-ol has a molecular weight of 219.31 g/mol, XLogP of 3.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,6-trimethylphenyl)-1,3-thiazol-4-ol is sourced from PubChem (CID 116889763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).