5-bromo-2-(3-methylbutan-2-yl)-1,3-thiazole

C8H12BrNS — CID 123517175

IUPAC5-bromo-2-(3-methylbutan-2-yl)-1,3-thiazole
SMILESCC(C)C(C)c1ncc(Br)s1
InChIInChI=1S/C8H12BrNS/c1-5(2)6(3)8-10-4-7(9)11-8/h4-6H,1-3H3
InChIKeyFAUDZFYUVVXBLB-UHFFFAOYSA-N
MW234.16 g/mol
LogP3.67
Rot. Bonds2

About 5-bromo-2-(3-methylbutan-2-yl)-1,3-thiazole

5-bromo-2-(3-methylbutan-2-yl)-1,3-thiazole (PubChem CID 123517175) has the molecular formula C8H12BrNS and a molecular weight of 234.16 g/mol. Its IUPAC name is 5-bromo-2-(3-methylbutan-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name5-bromo-2-(3-methylbutan-2-yl)-1,3-thiazole
PubChem CID123517175
Molecular FormulaC8H12BrNS
Molecular Weight234.16 g/mol
Exact Mass232.99
IUPAC Name5-bromo-2-(3-methylbutan-2-yl)-1,3-thiazole
SMILESCC(C)C(C)c1ncc(Br)s1
InChIInChI=1S/C8H12BrNS/c1-5(2)6(3)8-10-4-7(9)11-8/h4-6H,1-3H3
InChIKeyFAUDZFYUVVXBLB-UHFFFAOYSA-N
XLogP3.67
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.16
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-bromo-2-(3-methylbutan-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 5-bromo-2-(3-methylbutan-2-yl)-1,3-thiazole?
The IUPAC name of 5-bromo-2-(3-methylbutan-2-yl)-1,3-thiazole (CID 123517175) is 5-bromo-2-(3-methylbutan-2-yl)-1,3-thiazole.
What is the SMILES notation for 5-bromo-2-(3-methylbutan-2-yl)-1,3-thiazole?
The canonical SMILES for 5-bromo-2-(3-methylbutan-2-yl)-1,3-thiazole is CC(C)C(C)c1ncc(Br)s1.
What is the InChIKey of 5-bromo-2-(3-methylbutan-2-yl)-1,3-thiazole?
The InChIKey is FAUDZFYUVVXBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrNS/c1-5(2)6(3)8-10-4-7(9)11-8/h4-6H,1-3H3.
What are the key properties of 5-bromo-2-(3-methylbutan-2-yl)-1,3-thiazole?
5-bromo-2-(3-methylbutan-2-yl)-1,3-thiazole has a molecular weight of 234.16 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-methylbutan-2-yl)-1,3-thiazole is sourced from PubChem (CID 123517175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).