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

C10H8BrNS — CID 166103637

IUPAC3-(bromomethyl)-5-phenyl-1,2-thiazole
SMILESBrCc1cc(-c2ccccc2)sn1
InChIInChI=1S/C10H8BrNS/c11-7-9-6-10(13-12-9)8-4-2-1-3-5-8/h1-6H,7H2
InChIKeyJWTTUNJUPXTVMB-UHFFFAOYSA-N
MW254.15 g/mol
LogP3.70
Rot. Bonds2

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

3-(bromomethyl)-5-phenyl-1,2-thiazole (PubChem CID 166103637) has the molecular formula C10H8BrNS and a molecular weight of 254.15 g/mol. Its IUPAC name is 3-(bromomethyl)-5-phenyl-1,2-thiazole.

Molecular Properties

Compound Name3-(bromomethyl)-5-phenyl-1,2-thiazole
PubChem CID166103637
Molecular FormulaC10H8BrNS
Molecular Weight254.15 g/mol
Exact Mass252.96
IUPAC Name3-(bromomethyl)-5-phenyl-1,2-thiazole
SMILESBrCc1cc(-c2ccccc2)sn1
InChIInChI=1S/C10H8BrNS/c11-7-9-6-10(13-12-9)8-4-2-1-3-5-8/h1-6H,7H2
InChIKeyJWTTUNJUPXTVMB-UHFFFAOYSA-N
XLogP3.70
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.15
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-5-phenyl-1,2-thiazole?
The IUPAC name of 3-(bromomethyl)-5-phenyl-1,2-thiazole (CID 166103637) is 3-(bromomethyl)-5-phenyl-1,2-thiazole.
What is the SMILES notation for 3-(bromomethyl)-5-phenyl-1,2-thiazole?
The canonical SMILES for 3-(bromomethyl)-5-phenyl-1,2-thiazole is BrCc1cc(-c2ccccc2)sn1.
What is the InChIKey of 3-(bromomethyl)-5-phenyl-1,2-thiazole?
The InChIKey is JWTTUNJUPXTVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNS/c11-7-9-6-10(13-12-9)8-4-2-1-3-5-8/h1-6H,7H2.
What are the key properties of 3-(bromomethyl)-5-phenyl-1,2-thiazole?
3-(bromomethyl)-5-phenyl-1,2-thiazole has a molecular weight of 254.15 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-5-phenyl-1,2-thiazole is sourced from PubChem (CID 166103637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).