4,5-dibromo-2-cyclohexyl-1,3-thiazole

C9H11Br2NS — CID 66521428

IUPAC4,5-dibromo-2-cyclohexyl-1,3-thiazole
SMILESBrc1nc(C2CCCCC2)sc1Br
InChIInChI=1S/C9H11Br2NS/c10-7-8(11)13-9(12-7)6-4-2-1-3-5-6/h6H,1-5H2
InChIKeyKWGBZPNCLAJOKO-UHFFFAOYSA-N
MW325.07 g/mol
LogP4.72
Rot. Bonds1

About 4,5-dibromo-2-cyclohexyl-1,3-thiazole

4,5-dibromo-2-cyclohexyl-1,3-thiazole (PubChem CID 66521428) has the molecular formula C9H11Br2NS and a molecular weight of 325.07 g/mol. Its IUPAC name is 4,5-dibromo-2-cyclohexyl-1,3-thiazole.

Molecular Properties

Compound Name4,5-dibromo-2-cyclohexyl-1,3-thiazole
PubChem CID66521428
Molecular FormulaC9H11Br2NS
Molecular Weight325.07 g/mol
Exact Mass322.90
IUPAC Name4,5-dibromo-2-cyclohexyl-1,3-thiazole
SMILESBrc1nc(C2CCCCC2)sc1Br
InChIInChI=1S/C9H11Br2NS/c10-7-8(11)13-9(12-7)6-4-2-1-3-5-6/h6H,1-5H2
InChIKeyKWGBZPNCLAJOKO-UHFFFAOYSA-N
XLogP4.72
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.07
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4,5-dibromo-2-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 4,5-dibromo-2-cyclohexyl-1,3-thiazole?
The IUPAC name of 4,5-dibromo-2-cyclohexyl-1,3-thiazole (CID 66521428) is 4,5-dibromo-2-cyclohexyl-1,3-thiazole.
What is the SMILES notation for 4,5-dibromo-2-cyclohexyl-1,3-thiazole?
The canonical SMILES for 4,5-dibromo-2-cyclohexyl-1,3-thiazole is Brc1nc(C2CCCCC2)sc1Br.
What is the InChIKey of 4,5-dibromo-2-cyclohexyl-1,3-thiazole?
The InChIKey is KWGBZPNCLAJOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Br2NS/c10-7-8(11)13-9(12-7)6-4-2-1-3-5-6/h6H,1-5H2.
What are the key properties of 4,5-dibromo-2-cyclohexyl-1,3-thiazole?
4,5-dibromo-2-cyclohexyl-1,3-thiazole has a molecular weight of 325.07 g/mol, XLogP of 4.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-2-cyclohexyl-1,3-thiazole is sourced from PubChem (CID 66521428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).