2-methyl-4-(4-methylphenyl)-1,3-thiazole

C11H11NS — CID 667561

IUPAC2-methyl-4-(4-methylphenyl)-1,3-thiazole
SMILESCc1ccc(-c2csc(C)n2)cc1
InChIInChI=1S/C11H11NS/c1-8-3-5-10(6-4-8)11-7-13-9(2)12-11/h3-7H,1-2H3
InChIKeyUNKWGSWPXYCNPW-UHFFFAOYSA-N
MW189.28 g/mol
LogP3.43
Rot. Bonds1

About 2-methyl-4-(4-methylphenyl)-1,3-thiazole

2-methyl-4-(4-methylphenyl)-1,3-thiazole (PubChem CID 667561) has the molecular formula C11H11NS and a molecular weight of 189.28 g/mol. Its IUPAC name is 2-methyl-4-(4-methylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-(4-methylphenyl)-1,3-thiazole
PubChem CID667561
Molecular FormulaC11H11NS
Molecular Weight189.28 g/mol
Exact Mass189.06
IUPAC Name2-methyl-4-(4-methylphenyl)-1,3-thiazole
SMILESCc1ccc(-c2csc(C)n2)cc1
InChIInChI=1S/C11H11NS/c1-8-3-5-10(6-4-8)11-7-13-9(2)12-11/h3-7H,1-2H3
InChIKeyUNKWGSWPXYCNPW-UHFFFAOYSA-N
XLogP3.43
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-methylphenyl)-1,3-thiazole?
The IUPAC name of 2-methyl-4-(4-methylphenyl)-1,3-thiazole (CID 667561) is 2-methyl-4-(4-methylphenyl)-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-(4-methylphenyl)-1,3-thiazole?
The canonical SMILES for 2-methyl-4-(4-methylphenyl)-1,3-thiazole is Cc1ccc(-c2csc(C)n2)cc1.
What is the InChIKey of 2-methyl-4-(4-methylphenyl)-1,3-thiazole?
The InChIKey is UNKWGSWPXYCNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NS/c1-8-3-5-10(6-4-8)11-7-13-9(2)12-11/h3-7H,1-2H3.
What are the key properties of 2-methyl-4-(4-methylphenyl)-1,3-thiazole?
2-methyl-4-(4-methylphenyl)-1,3-thiazole has a molecular weight of 189.28 g/mol, XLogP of 3.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-methylphenyl)-1,3-thiazole is sourced from PubChem (CID 667561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).