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

C13H15NS — CID 116891883

IUPAC4-methyl-2-(2,4,6-trimethylphenyl)-1,3-thiazole
SMILESCc1cc(C)c(-c2nc(C)cs2)c(C)c1
InChIInChI=1S/C13H15NS/c1-8-5-9(2)12(10(3)6-8)13-14-11(4)7-15-13/h5-7H,1-4H3
InChIKeyKZPYOKVQTGPPCG-UHFFFAOYSA-N
MW217.34 g/mol
LogP4.04
Rot. Bonds1

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

4-methyl-2-(2,4,6-trimethylphenyl)-1,3-thiazole (PubChem CID 116891883) has the molecular formula C13H15NS and a molecular weight of 217.34 g/mol. Its IUPAC name is 4-methyl-2-(2,4,6-trimethylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-(2,4,6-trimethylphenyl)-1,3-thiazole
PubChem CID116891883
Molecular FormulaC13H15NS
Molecular Weight217.34 g/mol
Exact Mass217.09
IUPAC Name4-methyl-2-(2,4,6-trimethylphenyl)-1,3-thiazole
SMILESCc1cc(C)c(-c2nc(C)cs2)c(C)c1
InChIInChI=1S/C13H15NS/c1-8-5-9(2)12(10(3)6-8)13-14-11(4)7-15-13/h5-7H,1-4H3
InChIKeyKZPYOKVQTGPPCG-UHFFFAOYSA-N
XLogP4.04
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.34
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2,4,6-trimethylphenyl)-1,3-thiazole?
The IUPAC name of 4-methyl-2-(2,4,6-trimethylphenyl)-1,3-thiazole (CID 116891883) is 4-methyl-2-(2,4,6-trimethylphenyl)-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-(2,4,6-trimethylphenyl)-1,3-thiazole?
The canonical SMILES for 4-methyl-2-(2,4,6-trimethylphenyl)-1,3-thiazole is Cc1cc(C)c(-c2nc(C)cs2)c(C)c1.
What is the InChIKey of 4-methyl-2-(2,4,6-trimethylphenyl)-1,3-thiazole?
The InChIKey is KZPYOKVQTGPPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NS/c1-8-5-9(2)12(10(3)6-8)13-14-11(4)7-15-13/h5-7H,1-4H3.
What are the key properties of 4-methyl-2-(2,4,6-trimethylphenyl)-1,3-thiazole?
4-methyl-2-(2,4,6-trimethylphenyl)-1,3-thiazole has a molecular weight of 217.34 g/mol, XLogP of 4.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2,4,6-trimethylphenyl)-1,3-thiazole is sourced from PubChem (CID 116891883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).