4-bromo-5-cyclohexyl-1,3-thiazole

C9H12BrNS — CID 66520635

IUPAC4-bromo-5-cyclohexyl-1,3-thiazole
SMILESBrc1ncsc1C1CCCCC1
InChIInChI=1S/C9H12BrNS/c10-9-8(12-6-11-9)7-4-2-1-3-5-7/h6-7H,1-5H2
InChIKeyPERLQLYJHHBYCX-UHFFFAOYSA-N
MW246.17 g/mol
LogP3.95
Rot. Bonds1

About 4-bromo-5-cyclohexyl-1,3-thiazole

4-bromo-5-cyclohexyl-1,3-thiazole (PubChem CID 66520635) has the molecular formula C9H12BrNS and a molecular weight of 246.17 g/mol. Its IUPAC name is 4-bromo-5-cyclohexyl-1,3-thiazole.

Molecular Properties

Compound Name4-bromo-5-cyclohexyl-1,3-thiazole
PubChem CID66520635
Molecular FormulaC9H12BrNS
Molecular Weight246.17 g/mol
Exact Mass244.99
IUPAC Name4-bromo-5-cyclohexyl-1,3-thiazole
SMILESBrc1ncsc1C1CCCCC1
InChIInChI=1S/C9H12BrNS/c10-9-8(12-6-11-9)7-4-2-1-3-5-7/h6-7H,1-5H2
InChIKeyPERLQLYJHHBYCX-UHFFFAOYSA-N
XLogP3.95
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.17
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-bromo-5-cyclohexyl-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-5-cyclohexyl-1,3-thiazole?
The IUPAC name of 4-bromo-5-cyclohexyl-1,3-thiazole (CID 66520635) is 4-bromo-5-cyclohexyl-1,3-thiazole.
What is the SMILES notation for 4-bromo-5-cyclohexyl-1,3-thiazole?
The canonical SMILES for 4-bromo-5-cyclohexyl-1,3-thiazole is Brc1ncsc1C1CCCCC1.
What is the InChIKey of 4-bromo-5-cyclohexyl-1,3-thiazole?
The InChIKey is PERLQLYJHHBYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNS/c10-9-8(12-6-11-9)7-4-2-1-3-5-7/h6-7H,1-5H2.
What are the key properties of 4-bromo-5-cyclohexyl-1,3-thiazole?
4-bromo-5-cyclohexyl-1,3-thiazole has a molecular weight of 246.17 g/mol, XLogP of 3.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-cyclohexyl-1,3-thiazole is sourced from PubChem (CID 66520635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).