2-ethylsulfanyl-5-methyl-4-phenyl-1,3-thiazole

C12H13NS2 — CID 21435668

IUPAC2-ethylsulfanyl-5-methyl-4-phenyl-1,3-thiazole
SMILESCCSc1nc(-c2ccccc2)c(C)s1
InChIInChI=1S/C12H13NS2/c1-3-14-12-13-11(9(2)15-12)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3
InChIKeyINVMVYFMFNAMOD-UHFFFAOYSA-N
MW235.38 g/mol
LogP4.23
Rot. Bonds3

About 2-ethylsulfanyl-5-methyl-4-phenyl-1,3-thiazole

2-ethylsulfanyl-5-methyl-4-phenyl-1,3-thiazole (PubChem CID 21435668) has the molecular formula C12H13NS2 and a molecular weight of 235.38 g/mol. Its IUPAC name is 2-ethylsulfanyl-5-methyl-4-phenyl-1,3-thiazole.

Molecular Properties

Compound Name2-ethylsulfanyl-5-methyl-4-phenyl-1,3-thiazole
PubChem CID21435668
Molecular FormulaC12H13NS2
Molecular Weight235.38 g/mol
Exact Mass235.05
IUPAC Name2-ethylsulfanyl-5-methyl-4-phenyl-1,3-thiazole
SMILESCCSc1nc(-c2ccccc2)c(C)s1
InChIInChI=1S/C12H13NS2/c1-3-14-12-13-11(9(2)15-12)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3
InChIKeyINVMVYFMFNAMOD-UHFFFAOYSA-N
XLogP4.23
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-ethylsulfanyl-5-methyl-4-phenyl-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-5-methyl-4-phenyl-1,3-thiazole?
The IUPAC name of 2-ethylsulfanyl-5-methyl-4-phenyl-1,3-thiazole (CID 21435668) is 2-ethylsulfanyl-5-methyl-4-phenyl-1,3-thiazole.
What is the SMILES notation for 2-ethylsulfanyl-5-methyl-4-phenyl-1,3-thiazole?
The canonical SMILES for 2-ethylsulfanyl-5-methyl-4-phenyl-1,3-thiazole is CCSc1nc(-c2ccccc2)c(C)s1.
What is the InChIKey of 2-ethylsulfanyl-5-methyl-4-phenyl-1,3-thiazole?
The InChIKey is INVMVYFMFNAMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NS2/c1-3-14-12-13-11(9(2)15-12)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3.
What are the key properties of 2-ethylsulfanyl-5-methyl-4-phenyl-1,3-thiazole?
2-ethylsulfanyl-5-methyl-4-phenyl-1,3-thiazole has a molecular weight of 235.38 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-5-methyl-4-phenyl-1,3-thiazole is sourced from PubChem (CID 21435668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).