3-(4-bromo-1,3-thiazol-2-yl)propanamide

C6H7BrN2OS — CID 68520438

IUPAC3-(4-bromo-1,3-thiazol-2-yl)propanamide
SMILESNC(=O)CCc1nc(Br)cs1
InChIInChI=1S/C6H7BrN2OS/c7-4-3-11-6(9-4)2-1-5(8)10/h3H,1-2H2,(H2,8,10)
InChIKeyCRCBDDXMOUVYCV-UHFFFAOYSA-N
MW235.11 g/mol
LogP1.32
Rot. Bonds3

About 3-(4-bromo-1,3-thiazol-2-yl)propanamide

3-(4-bromo-1,3-thiazol-2-yl)propanamide (PubChem CID 68520438) has the molecular formula C6H7BrN2OS and a molecular weight of 235.11 g/mol. Its IUPAC name is 3-(4-bromo-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(4-bromo-1,3-thiazol-2-yl)propanamide
PubChem CID68520438
Molecular FormulaC6H7BrN2OS
Molecular Weight235.11 g/mol
Exact Mass233.95
IUPAC Name3-(4-bromo-1,3-thiazol-2-yl)propanamide
SMILESNC(=O)CCc1nc(Br)cs1
InChIInChI=1S/C6H7BrN2OS/c7-4-3-11-6(9-4)2-1-5(8)10/h3H,1-2H2,(H2,8,10)
InChIKeyCRCBDDXMOUVYCV-UHFFFAOYSA-N
XLogP1.32
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.11
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-bromo-1,3-thiazol-2-yl)propanamide 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 3-(4-bromo-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-(4-bromo-1,3-thiazol-2-yl)propanamide (CID 68520438) is 3-(4-bromo-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-(4-bromo-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-(4-bromo-1,3-thiazol-2-yl)propanamide is NC(=O)CCc1nc(Br)cs1.
What is the InChIKey of 3-(4-bromo-1,3-thiazol-2-yl)propanamide?
The InChIKey is CRCBDDXMOUVYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2OS/c7-4-3-11-6(9-4)2-1-5(8)10/h3H,1-2H2,(H2,8,10).
What are the key properties of 3-(4-bromo-1,3-thiazol-2-yl)propanamide?
3-(4-bromo-1,3-thiazol-2-yl)propanamide has a molecular weight of 235.11 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 68520438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).