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

C13H15NS — CID 116891909

IUPAC4-methyl-2-(2,4,5-trimethylphenyl)-1,3-thiazole
SMILESCc1csc(-c2cc(C)c(C)cc2C)n1
InChIInChI=1S/C13H15NS/c1-8-5-10(3)12(6-9(8)2)13-14-11(4)7-15-13/h5-7H,1-4H3
InChIKeyFLLAQJSFMLQTLJ-UHFFFAOYSA-N
MW217.34 g/mol
LogP4.04
Rot. Bonds1

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

4-methyl-2-(2,4,5-trimethylphenyl)-1,3-thiazole (PubChem CID 116891909) has the molecular formula C13H15NS and a molecular weight of 217.34 g/mol. Its IUPAC name is 4-methyl-2-(2,4,5-trimethylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-(2,4,5-trimethylphenyl)-1,3-thiazole
PubChem CID116891909
Molecular FormulaC13H15NS
Molecular Weight217.34 g/mol
Exact Mass217.09
IUPAC Name4-methyl-2-(2,4,5-trimethylphenyl)-1,3-thiazole
SMILESCc1csc(-c2cc(C)c(C)cc2C)n1
InChIInChI=1S/C13H15NS/c1-8-5-10(3)12(6-9(8)2)13-14-11(4)7-15-13/h5-7H,1-4H3
InChIKeyFLLAQJSFMLQTLJ-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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Related Compounds

2-(2,5-dimethylphenyl)-4-methyl-1,3-thiazole
CID 116891864
2-(2,4,5-trimethylphenyl)-1,3-thiazole-4-carbonitrile
CID 116889937
4-methyl-2-(2,4,6-trimethylphenyl)-1,3-thiazole
CID 116891883
1-[2-(2,4,5-trimethylphenyl)-1,3-thiazol-4-yl]propan-2-amine
CID 116888197
2-(3,4-dimethyl-7-azabicyclo[4.2.0]octa-1(8),2,4,6-tetraen-8-yl)-4-methyl-1,3-thiazole
CID 114983413
6,7-dimethyl-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one
CID 163716006
4-methoxy-2-(4-methoxy-2,5-dimethylphenyl)-1,3-thiazole
CID 116891772
2-(2,5-dimethoxyphenyl)-4-methyl-1,3-thiazole
CID 82083376
2-(5-bromo-2-methyl-4-pyridinyl)-4-methyl-1,3-thiazole
CID 68640621
2-(2-fluorophenyl)-4-methyl-1,3-thiazole
CID 53443450
2-(2,4-dimethoxy-6-methylphenyl)-4-methyl-1,3-thiazole
CID 116891940
2-methyl-4-(4-methyl-1,3-thiazol-2-yl)phenol
CID 136992886

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2,4,5-trimethylphenyl)-1,3-thiazole?
The IUPAC name of 4-methyl-2-(2,4,5-trimethylphenyl)-1,3-thiazole (CID 116891909) is 4-methyl-2-(2,4,5-trimethylphenyl)-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-(2,4,5-trimethylphenyl)-1,3-thiazole?
The canonical SMILES for 4-methyl-2-(2,4,5-trimethylphenyl)-1,3-thiazole is Cc1csc(-c2cc(C)c(C)cc2C)n1.
What is the InChIKey of 4-methyl-2-(2,4,5-trimethylphenyl)-1,3-thiazole?
The InChIKey is FLLAQJSFMLQTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NS/c1-8-5-10(3)12(6-9(8)2)13-14-11(4)7-15-13/h5-7H,1-4H3.
What are the key properties of 4-methyl-2-(2,4,5-trimethylphenyl)-1,3-thiazole?
4-methyl-2-(2,4,5-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-(2,4,5-trimethylphenyl)-1,3-thiazole is sourced from PubChem (CID 116891909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).