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

C10H8BrNS — CID 3613557

IUPAC5-bromo-2-methyl-4-phenyl-1,3-thiazole
SMILESCc1nc(-c2ccccc2)c(Br)s1
InChIInChI=1S/C10H8BrNS/c1-7-12-9(10(11)13-7)8-5-3-2-4-6-8/h2-6H,1H3
InChIKeyYBIVQJKFCJWQSA-UHFFFAOYSA-N
MW254.15 g/mol
LogP3.88
Rot. Bonds1

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

5-bromo-2-methyl-4-phenyl-1,3-thiazole (PubChem CID 3613557) has the molecular formula C10H8BrNS and a molecular weight of 254.15 g/mol. Its IUPAC name is 5-bromo-2-methyl-4-phenyl-1,3-thiazole.

Molecular Properties

Compound Name5-bromo-2-methyl-4-phenyl-1,3-thiazole
PubChem CID3613557
Molecular FormulaC10H8BrNS
Molecular Weight254.15 g/mol
Exact Mass252.96
IUPAC Name5-bromo-2-methyl-4-phenyl-1,3-thiazole
SMILESCc1nc(-c2ccccc2)c(Br)s1
InChIInChI=1S/C10H8BrNS/c1-7-12-9(10(11)13-7)8-5-3-2-4-6-8/h2-6H,1H3
InChIKeyYBIVQJKFCJWQSA-UHFFFAOYSA-N
XLogP3.88
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.15
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-bromo-2-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 5-bromo-2-methyl-4-phenyl-1,3-thiazole?
The IUPAC name of 5-bromo-2-methyl-4-phenyl-1,3-thiazole (CID 3613557) is 5-bromo-2-methyl-4-phenyl-1,3-thiazole.
What is the SMILES notation for 5-bromo-2-methyl-4-phenyl-1,3-thiazole?
The canonical SMILES for 5-bromo-2-methyl-4-phenyl-1,3-thiazole is Cc1nc(-c2ccccc2)c(Br)s1.
What is the InChIKey of 5-bromo-2-methyl-4-phenyl-1,3-thiazole?
The InChIKey is YBIVQJKFCJWQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNS/c1-7-12-9(10(11)13-7)8-5-3-2-4-6-8/h2-6H,1H3.
What are the key properties of 5-bromo-2-methyl-4-phenyl-1,3-thiazole?
5-bromo-2-methyl-4-phenyl-1,3-thiazole has a molecular weight of 254.15 g/mol, XLogP of 3.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-4-phenyl-1,3-thiazole is sourced from PubChem (CID 3613557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).