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

C5H5BrN2OS — CID 118104947

IUPAC5-bromo-4-methyl-1,3-thiazole-2-carboxamide
SMILESCc1nc(C(N)=O)sc1Br
InChIInChI=1S/C5H5BrN2OS/c1-2-3(6)10-5(8-2)4(7)9/h1H3,(H2,7,9)
InChIKeyXTJFQJJUZJFLEE-UHFFFAOYSA-N
MW221.08 g/mol
LogP1.31
Rot. Bonds1

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

5-bromo-4-methyl-1,3-thiazole-2-carboxamide (PubChem CID 118104947) has the molecular formula C5H5BrN2OS and a molecular weight of 221.08 g/mol. Its IUPAC name is 5-bromo-4-methyl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name5-bromo-4-methyl-1,3-thiazole-2-carboxamide
PubChem CID118104947
Molecular FormulaC5H5BrN2OS
Molecular Weight221.08 g/mol
Exact Mass219.93
IUPAC Name5-bromo-4-methyl-1,3-thiazole-2-carboxamide
SMILESCc1nc(C(N)=O)sc1Br
InChIInChI=1S/C5H5BrN2OS/c1-2-3(6)10-5(8-2)4(7)9/h1H3,(H2,7,9)
InChIKeyXTJFQJJUZJFLEE-UHFFFAOYSA-N
XLogP1.31
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.08
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-4-methyl-1,3-thiazole-2-carboxamide 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-4-methyl-1,3-thiazole-2-carboxamide?
The IUPAC name of 5-bromo-4-methyl-1,3-thiazole-2-carboxamide (CID 118104947) is 5-bromo-4-methyl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 5-bromo-4-methyl-1,3-thiazole-2-carboxamide?
The canonical SMILES for 5-bromo-4-methyl-1,3-thiazole-2-carboxamide is Cc1nc(C(N)=O)sc1Br.
What is the InChIKey of 5-bromo-4-methyl-1,3-thiazole-2-carboxamide?
The InChIKey is XTJFQJJUZJFLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrN2OS/c1-2-3(6)10-5(8-2)4(7)9/h1H3,(H2,7,9).
What are the key properties of 5-bromo-4-methyl-1,3-thiazole-2-carboxamide?
5-bromo-4-methyl-1,3-thiazole-2-carboxamide has a molecular weight of 221.08 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methyl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 118104947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).