5-(3-bromo-2-methylpropyl)-4-chloro-1,3-thiazole

C7H9BrClNS — CID 165446602

IUPAC5-(3-bromo-2-methylpropyl)-4-chloro-1,3-thiazole
SMILESCC(CBr)Cc1scnc1Cl
InChIInChI=1S/C7H9BrClNS/c1-5(3-8)2-6-7(9)10-4-11-6/h4-5H,2-3H2,1H3
InChIKeyURQWSAVBZMPJBN-UHFFFAOYSA-N
MW254.58 g/mol
LogP3.37
Rot. Bonds3

About 5-(3-bromo-2-methylpropyl)-4-chloro-1,3-thiazole

5-(3-bromo-2-methylpropyl)-4-chloro-1,3-thiazole (PubChem CID 165446602) has the molecular formula C7H9BrClNS and a molecular weight of 254.58 g/mol. Its IUPAC name is 5-(3-bromo-2-methylpropyl)-4-chloro-1,3-thiazole.

Molecular Properties

Compound Name5-(3-bromo-2-methylpropyl)-4-chloro-1,3-thiazole
PubChem CID165446602
Molecular FormulaC7H9BrClNS
Molecular Weight254.58 g/mol
Exact Mass252.93
IUPAC Name5-(3-bromo-2-methylpropyl)-4-chloro-1,3-thiazole
SMILESCC(CBr)Cc1scnc1Cl
InChIInChI=1S/C7H9BrClNS/c1-5(3-8)2-6-7(9)10-4-11-6/h4-5H,2-3H2,1H3
InChIKeyURQWSAVBZMPJBN-UHFFFAOYSA-N
XLogP3.37
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.58
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(3-bromo-2-methylpropyl)-4-chloro-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-(3-bromo-2-methylpropyl)-4-chloro-1,3-thiazole?
The IUPAC name of 5-(3-bromo-2-methylpropyl)-4-chloro-1,3-thiazole (CID 165446602) is 5-(3-bromo-2-methylpropyl)-4-chloro-1,3-thiazole.
What is the SMILES notation for 5-(3-bromo-2-methylpropyl)-4-chloro-1,3-thiazole?
The canonical SMILES for 5-(3-bromo-2-methylpropyl)-4-chloro-1,3-thiazole is CC(CBr)Cc1scnc1Cl.
What is the InChIKey of 5-(3-bromo-2-methylpropyl)-4-chloro-1,3-thiazole?
The InChIKey is URQWSAVBZMPJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrClNS/c1-5(3-8)2-6-7(9)10-4-11-6/h4-5H,2-3H2,1H3.
What are the key properties of 5-(3-bromo-2-methylpropyl)-4-chloro-1,3-thiazole?
5-(3-bromo-2-methylpropyl)-4-chloro-1,3-thiazole has a molecular weight of 254.58 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-2-methylpropyl)-4-chloro-1,3-thiazole is sourced from PubChem (CID 165446602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).