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

C5H4BrNS — CID 177317052

IUPAC3-bromo-4-ethenyl-1,2-thiazole
SMILESC=Cc1csnc1Br
InChIInChI=1S/C5H4BrNS/c1-2-4-3-8-7-5(4)6/h2-3H,1H2
InChIKeyYPKNTABGQJKVCR-UHFFFAOYSA-N
MW190.06 g/mol
LogP2.55
Rot. Bonds1

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

3-bromo-4-ethenyl-1,2-thiazole (PubChem CID 177317052) has the molecular formula C5H4BrNS and a molecular weight of 190.06 g/mol. Its IUPAC name is 3-bromo-4-ethenyl-1,2-thiazole.

Molecular Properties

Compound Name3-bromo-4-ethenyl-1,2-thiazole
PubChem CID177317052
Molecular FormulaC5H4BrNS
Molecular Weight190.06 g/mol
Exact Mass188.92
IUPAC Name3-bromo-4-ethenyl-1,2-thiazole
SMILESC=Cc1csnc1Br
InChIInChI=1S/C5H4BrNS/c1-2-4-3-8-7-5(4)6/h2-3H,1H2
InChIKeyYPKNTABGQJKVCR-UHFFFAOYSA-N
XLogP2.55
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.06
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-bromo-4-ethenyl-1,2-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 3-bromo-4-ethenyl-1,2-thiazole?
The IUPAC name of 3-bromo-4-ethenyl-1,2-thiazole (CID 177317052) is 3-bromo-4-ethenyl-1,2-thiazole.
What is the SMILES notation for 3-bromo-4-ethenyl-1,2-thiazole?
The canonical SMILES for 3-bromo-4-ethenyl-1,2-thiazole is C=Cc1csnc1Br.
What is the InChIKey of 3-bromo-4-ethenyl-1,2-thiazole?
The InChIKey is YPKNTABGQJKVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrNS/c1-2-4-3-8-7-5(4)6/h2-3H,1H2.
What are the key properties of 3-bromo-4-ethenyl-1,2-thiazole?
3-bromo-4-ethenyl-1,2-thiazole has a molecular weight of 190.06 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-ethenyl-1,2-thiazole is sourced from PubChem (CID 177317052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).