4-bromo-2-(2-methylbut-3-en-2-yl)-1,3-thiazole

C8H10BrNS — CID 11183861

IUPAC4-bromo-2-(2-methylbut-3-en-2-yl)-1,3-thiazole
SMILESC=CC(C)(C)c1nc(Br)cs1
InChIInChI=1S/C8H10BrNS/c1-4-8(2,3)7-10-6(9)5-11-7/h4-5H,1H2,2-3H3
InChIKeyGDTYAUZYAKQJCK-UHFFFAOYSA-N
MW232.15 g/mol
LogP3.37
Rot. Bonds2

About 4-bromo-2-(2-methylbut-3-en-2-yl)-1,3-thiazole

4-bromo-2-(2-methylbut-3-en-2-yl)-1,3-thiazole (PubChem CID 11183861) has the molecular formula C8H10BrNS and a molecular weight of 232.15 g/mol. Its IUPAC name is 4-bromo-2-(2-methylbut-3-en-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-bromo-2-(2-methylbut-3-en-2-yl)-1,3-thiazole
PubChem CID11183861
Molecular FormulaC8H10BrNS
Molecular Weight232.15 g/mol
Exact Mass230.97
IUPAC Name4-bromo-2-(2-methylbut-3-en-2-yl)-1,3-thiazole
SMILESC=CC(C)(C)c1nc(Br)cs1
InChIInChI=1S/C8H10BrNS/c1-4-8(2,3)7-10-6(9)5-11-7/h4-5H,1H2,2-3H3
InChIKeyGDTYAUZYAKQJCK-UHFFFAOYSA-N
XLogP3.37
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.15
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-bromo-2-(2-methylbut-3-en-2-yl)-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 4-bromo-2-(2-methylbut-3-en-2-yl)-1,3-thiazole?
The IUPAC name of 4-bromo-2-(2-methylbut-3-en-2-yl)-1,3-thiazole (CID 11183861) is 4-bromo-2-(2-methylbut-3-en-2-yl)-1,3-thiazole.
What is the SMILES notation for 4-bromo-2-(2-methylbut-3-en-2-yl)-1,3-thiazole?
The canonical SMILES for 4-bromo-2-(2-methylbut-3-en-2-yl)-1,3-thiazole is C=CC(C)(C)c1nc(Br)cs1.
What is the InChIKey of 4-bromo-2-(2-methylbut-3-en-2-yl)-1,3-thiazole?
The InChIKey is GDTYAUZYAKQJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNS/c1-4-8(2,3)7-10-6(9)5-11-7/h4-5H,1H2,2-3H3.
What are the key properties of 4-bromo-2-(2-methylbut-3-en-2-yl)-1,3-thiazole?
4-bromo-2-(2-methylbut-3-en-2-yl)-1,3-thiazole has a molecular weight of 232.15 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(2-methylbut-3-en-2-yl)-1,3-thiazole is sourced from PubChem (CID 11183861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).