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

C4H4BrNS — CID 13228663

IUPAC5-bromo-2-methyl-1,3-thiazole
SMILESCc1ncc(Br)s1
InChIInChI=1S/C4H4BrNS/c1-3-6-2-4(5)7-3/h2H,1H3
InChIKeyHMVGGGOWCWNMNY-UHFFFAOYSA-N
MW178.05 g/mol
LogP2.21
Rot. Bonds

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

5-bromo-2-methyl-1,3-thiazole (PubChem CID 13228663) has the molecular formula C4H4BrNS and a molecular weight of 178.05 g/mol. Its IUPAC name is 5-bromo-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-bromo-2-methyl-1,3-thiazole
PubChem CID13228663
Molecular FormulaC4H4BrNS
Molecular Weight178.05 g/mol
Exact Mass176.92
IUPAC Name5-bromo-2-methyl-1,3-thiazole
SMILESCc1ncc(Br)s1
InChIInChI=1S/C4H4BrNS/c1-3-6-2-4(5)7-3/h2H,1H3
InChIKeyHMVGGGOWCWNMNY-UHFFFAOYSA-N
XLogP2.21
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.05
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-bromo-2-methyl-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-1,3-thiazole?
The IUPAC name of 5-bromo-2-methyl-1,3-thiazole (CID 13228663) is 5-bromo-2-methyl-1,3-thiazole.
What is the SMILES notation for 5-bromo-2-methyl-1,3-thiazole?
The canonical SMILES for 5-bromo-2-methyl-1,3-thiazole is Cc1ncc(Br)s1.
What is the InChIKey of 5-bromo-2-methyl-1,3-thiazole?
The InChIKey is HMVGGGOWCWNMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4BrNS/c1-3-6-2-4(5)7-3/h2H,1H3.
What are the key properties of 5-bromo-2-methyl-1,3-thiazole?
5-bromo-2-methyl-1,3-thiazole has a molecular weight of 178.05 g/mol, XLogP of 2.21, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-1,3-thiazole is sourced from PubChem (CID 13228663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).