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

C11H11NS2 — CID 25496142

IUPAC4-methyl-2-(4-methylphenyl)sulfanyl-1,3-thiazole
SMILESCc1ccc(Sc2nc(C)cs2)cc1
InChIInChI=1S/C11H11NS2/c1-8-3-5-10(6-4-8)14-11-12-9(2)7-13-11/h3-7H,1-2H3
InChIKeyWDXUUUAZTIHILG-UHFFFAOYSA-N
MW221.35 g/mol
LogP3.91
Rot. Bonds2

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

4-methyl-2-(4-methylphenyl)sulfanyl-1,3-thiazole (PubChem CID 25496142) has the molecular formula C11H11NS2 and a molecular weight of 221.35 g/mol. Its IUPAC name is 4-methyl-2-(4-methylphenyl)sulfanyl-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-(4-methylphenyl)sulfanyl-1,3-thiazole
PubChem CID25496142
Molecular FormulaC11H11NS2
Molecular Weight221.35 g/mol
Exact Mass221.03
IUPAC Name4-methyl-2-(4-methylphenyl)sulfanyl-1,3-thiazole
SMILESCc1ccc(Sc2nc(C)cs2)cc1
InChIInChI=1S/C11H11NS2/c1-8-3-5-10(6-4-8)14-11-12-9(2)7-13-11/h3-7H,1-2H3
InChIKeyWDXUUUAZTIHILG-UHFFFAOYSA-N
XLogP3.91
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-methylphenyl)sulfanyl-1,3-thiazole?
The IUPAC name of 4-methyl-2-(4-methylphenyl)sulfanyl-1,3-thiazole (CID 25496142) is 4-methyl-2-(4-methylphenyl)sulfanyl-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-(4-methylphenyl)sulfanyl-1,3-thiazole?
The canonical SMILES for 4-methyl-2-(4-methylphenyl)sulfanyl-1,3-thiazole is Cc1ccc(Sc2nc(C)cs2)cc1.
What is the InChIKey of 4-methyl-2-(4-methylphenyl)sulfanyl-1,3-thiazole?
The InChIKey is WDXUUUAZTIHILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NS2/c1-8-3-5-10(6-4-8)14-11-12-9(2)7-13-11/h3-7H,1-2H3.
What are the key properties of 4-methyl-2-(4-methylphenyl)sulfanyl-1,3-thiazole?
4-methyl-2-(4-methylphenyl)sulfanyl-1,3-thiazole has a molecular weight of 221.35 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-methylphenyl)sulfanyl-1,3-thiazole is sourced from PubChem (CID 25496142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).