5-(bromomethyl)-4-methyl-2-phenyl-1,3-thiazole

C11H10BrNS — CID 2795493

IUPAC5-(bromomethyl)-4-methyl-2-phenyl-1,3-thiazole
SMILESCc1nc(-c2ccccc2)sc1CBr
InChIInChI=1S/C11H10BrNS/c1-8-10(7-12)14-11(13-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKeyJIYKQPNREFZLCN-UHFFFAOYSA-N
MW268.18 g/mol
LogP4.01
Rot. Bonds2

About 5-(bromomethyl)-4-methyl-2-phenyl-1,3-thiazole

5-(bromomethyl)-4-methyl-2-phenyl-1,3-thiazole (PubChem CID 2795493) has the molecular formula C11H10BrNS and a molecular weight of 268.18 g/mol. Its IUPAC name is 5-(bromomethyl)-4-methyl-2-phenyl-1,3-thiazole.

Molecular Properties

Compound Name5-(bromomethyl)-4-methyl-2-phenyl-1,3-thiazole
PubChem CID2795493
Molecular FormulaC11H10BrNS
Molecular Weight268.18 g/mol
Exact Mass266.97
IUPAC Name5-(bromomethyl)-4-methyl-2-phenyl-1,3-thiazole
SMILESCc1nc(-c2ccccc2)sc1CBr
InChIInChI=1S/C11H10BrNS/c1-8-10(7-12)14-11(13-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKeyJIYKQPNREFZLCN-UHFFFAOYSA-N
XLogP4.01
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.18
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(bromomethyl)-4-methyl-2-phenyl-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-(bromomethyl)-4-methyl-2-phenyl-1,3-thiazole?
The IUPAC name of 5-(bromomethyl)-4-methyl-2-phenyl-1,3-thiazole (CID 2795493) is 5-(bromomethyl)-4-methyl-2-phenyl-1,3-thiazole.
What is the SMILES notation for 5-(bromomethyl)-4-methyl-2-phenyl-1,3-thiazole?
The canonical SMILES for 5-(bromomethyl)-4-methyl-2-phenyl-1,3-thiazole is Cc1nc(-c2ccccc2)sc1CBr.
What is the InChIKey of 5-(bromomethyl)-4-methyl-2-phenyl-1,3-thiazole?
The InChIKey is JIYKQPNREFZLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNS/c1-8-10(7-12)14-11(13-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3.
What are the key properties of 5-(bromomethyl)-4-methyl-2-phenyl-1,3-thiazole?
5-(bromomethyl)-4-methyl-2-phenyl-1,3-thiazole has a molecular weight of 268.18 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-4-methyl-2-phenyl-1,3-thiazole is sourced from PubChem (CID 2795493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).