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

C11H11NS2 — CID 116967862

IUPAC2-methyl-4-(4-methylsulfanylphenyl)-1,3-thiazole
SMILESCSc1ccc(-c2csc(C)n2)cc1
InChIInChI=1S/C11H11NS2/c1-8-12-11(7-14-8)9-3-5-10(13-2)6-4-9/h3-7H,1-2H3
InChIKeyBHKHIOXWKVELDP-UHFFFAOYSA-N
MW221.35 g/mol
LogP3.84
Rot. Bonds2

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

2-methyl-4-(4-methylsulfanylphenyl)-1,3-thiazole (PubChem CID 116967862) has the molecular formula C11H11NS2 and a molecular weight of 221.35 g/mol. Its IUPAC name is 2-methyl-4-(4-methylsulfanylphenyl)-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-(4-methylsulfanylphenyl)-1,3-thiazole
PubChem CID116967862
Molecular FormulaC11H11NS2
Molecular Weight221.35 g/mol
Exact Mass221.03
IUPAC Name2-methyl-4-(4-methylsulfanylphenyl)-1,3-thiazole
SMILESCSc1ccc(-c2csc(C)n2)cc1
InChIInChI=1S/C11H11NS2/c1-8-12-11(7-14-8)9-3-5-10(13-2)6-4-9/h3-7H,1-2H3
InChIKeyBHKHIOXWKVELDP-UHFFFAOYSA-N
XLogP3.84
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 ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-methylsulfanylphenyl)-1,3-thiazole?
The IUPAC name of 2-methyl-4-(4-methylsulfanylphenyl)-1,3-thiazole (CID 116967862) is 2-methyl-4-(4-methylsulfanylphenyl)-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-(4-methylsulfanylphenyl)-1,3-thiazole?
The canonical SMILES for 2-methyl-4-(4-methylsulfanylphenyl)-1,3-thiazole is CSc1ccc(-c2csc(C)n2)cc1.
What is the InChIKey of 2-methyl-4-(4-methylsulfanylphenyl)-1,3-thiazole?
The InChIKey is BHKHIOXWKVELDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NS2/c1-8-12-11(7-14-8)9-3-5-10(13-2)6-4-9/h3-7H,1-2H3.
What are the key properties of 2-methyl-4-(4-methylsulfanylphenyl)-1,3-thiazole?
2-methyl-4-(4-methylsulfanylphenyl)-1,3-thiazole has a molecular weight of 221.35 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-methylsulfanylphenyl)-1,3-thiazole is sourced from PubChem (CID 116967862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).