2-(2,5-dimethylphenyl)-4-methyl-1,3-thiazole

C12H13NS — CID 116891864

IUPAC2-(2,5-dimethylphenyl)-4-methyl-1,3-thiazole
SMILESCc1ccc(C)c(-c2nc(C)cs2)c1
InChIInChI=1S/C12H13NS/c1-8-4-5-9(2)11(6-8)12-13-10(3)7-14-12/h4-7H,1-3H3
InChIKeyREIZAPMJDHOURQ-UHFFFAOYSA-N
MW203.31 g/mol
LogP3.74
Rot. Bonds1

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

2-(2,5-dimethylphenyl)-4-methyl-1,3-thiazole (PubChem CID 116891864) has the molecular formula C12H13NS and a molecular weight of 203.31 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-4-methyl-1,3-thiazole
PubChem CID116891864
Molecular FormulaC12H13NS
Molecular Weight203.31 g/mol
Exact Mass203.08
IUPAC Name2-(2,5-dimethylphenyl)-4-methyl-1,3-thiazole
SMILESCc1ccc(C)c(-c2nc(C)cs2)c1
InChIInChI=1S/C12H13NS/c1-8-4-5-9(2)11(6-8)12-13-10(3)7-14-12/h4-7H,1-3H3
InChIKeyREIZAPMJDHOURQ-UHFFFAOYSA-N
XLogP3.74
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-2-(2,4,5-trimethylphenyl)-1,3-thiazole
CID 116891909
2-(2,5-dimethylphenyl)-1,3-thiazole-4-carboxamide
CID 116891955
[2-(2,5-dimethylphenyl)-1,3-thiazol-4-yl] acetate
CID 174677755
4-methyl-2-(2,4,6-trimethylphenyl)-1,3-thiazole
CID 116891883
3-[2-(2,5-dimethylphenyl)-1,3-thiazol-4-yl]-N-methylpropan-1-amine
CID 116888293
5-(2,5-dimethylphenyl)-3-methyl-1,2-oxazole
CID 116868891
2-(2,5-dimethylphenyl)-1,3-benzothiazole
CID 14365937
5-(2,5-dimethylphenyl)-1,3,4-thiadiazol-2-amine
CID 14091156
2-(2,4-dimethylphenyl)-1,3-thiazole-4-thiol
CID 116889620
4-bromo-2-(5-bromo-2-methylphenyl)-1,3-thiazole
CID 116892245
2-(2-fluorophenyl)-4-methyl-1,3-thiazole
CID 53443450
1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropan-1-amine
CID 61339037

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-4-methyl-1,3-thiazole?
The IUPAC name of 2-(2,5-dimethylphenyl)-4-methyl-1,3-thiazole (CID 116891864) is 2-(2,5-dimethylphenyl)-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-4-methyl-1,3-thiazole?
The canonical SMILES for 2-(2,5-dimethylphenyl)-4-methyl-1,3-thiazole is Cc1ccc(C)c(-c2nc(C)cs2)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-4-methyl-1,3-thiazole?
The InChIKey is REIZAPMJDHOURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NS/c1-8-4-5-9(2)11(6-8)12-13-10(3)7-14-12/h4-7H,1-3H3.
What are the key properties of 2-(2,5-dimethylphenyl)-4-methyl-1,3-thiazole?
2-(2,5-dimethylphenyl)-4-methyl-1,3-thiazole has a molecular weight of 203.31 g/mol, XLogP of 3.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-4-methyl-1,3-thiazole is sourced from PubChem (CID 116891864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).