2-bromo-4-ethyl-1,3-thiazole

C5H6BrNS — CID 22056411

IUPAC2-bromo-4-ethyl-1,3-thiazole
SMILESCCc1csc(Br)n1
InChIInChI=1S/C5H6BrNS/c1-2-4-3-8-5(6)7-4/h3H,2H2,1H3
InChIKeyYQWKKYUKBQHMJG-UHFFFAOYSA-N
MW192.08 g/mol
LogP2.47
Rot. Bonds1

About 2-bromo-4-ethyl-1,3-thiazole

2-bromo-4-ethyl-1,3-thiazole (PubChem CID 22056411) has the molecular formula C5H6BrNS and a molecular weight of 192.08 g/mol. Its IUPAC name is 2-bromo-4-ethyl-1,3-thiazole.

Molecular Properties

Compound Name2-bromo-4-ethyl-1,3-thiazole
PubChem CID22056411
Molecular FormulaC5H6BrNS
Molecular Weight192.08 g/mol
Exact Mass190.94
IUPAC Name2-bromo-4-ethyl-1,3-thiazole
SMILESCCc1csc(Br)n1
InChIInChI=1S/C5H6BrNS/c1-2-4-3-8-5(6)7-4/h3H,2H2,1H3
InChIKeyYQWKKYUKBQHMJG-UHFFFAOYSA-N
XLogP2.47
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.08
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-bromo-4-ethyl-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-bromo-4-ethyl-1,3-thiazole?
The IUPAC name of 2-bromo-4-ethyl-1,3-thiazole (CID 22056411) is 2-bromo-4-ethyl-1,3-thiazole.
What is the SMILES notation for 2-bromo-4-ethyl-1,3-thiazole?
The canonical SMILES for 2-bromo-4-ethyl-1,3-thiazole is CCc1csc(Br)n1.
What is the InChIKey of 2-bromo-4-ethyl-1,3-thiazole?
The InChIKey is YQWKKYUKBQHMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrNS/c1-2-4-3-8-5(6)7-4/h3H,2H2,1H3.
What are the key properties of 2-bromo-4-ethyl-1,3-thiazole?
2-bromo-4-ethyl-1,3-thiazole has a molecular weight of 192.08 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-ethyl-1,3-thiazole is sourced from PubChem (CID 22056411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).