5-(bromomethyl)-2-[(4-chlorophenyl)methyl]-1,3-thiazole

C11H9BrClNS — CID 82422430

IUPAC5-(bromomethyl)-2-[(4-chlorophenyl)methyl]-1,3-thiazole
SMILESClc1ccc(Cc2ncc(CBr)s2)cc1
InChIInChI=1S/C11H9BrClNS/c12-6-10-7-14-11(15-10)5-8-1-3-9(13)4-2-8/h1-4,7H,5-6H2
InChIKeyRGEIQGQAIHMWKP-UHFFFAOYSA-N
MW302.62 g/mol
LogP4.28
Rot. Bonds3

About 5-(bromomethyl)-2-[(4-chlorophenyl)methyl]-1,3-thiazole

5-(bromomethyl)-2-[(4-chlorophenyl)methyl]-1,3-thiazole (PubChem CID 82422430) has the molecular formula C11H9BrClNS and a molecular weight of 302.62 g/mol. Its IUPAC name is 5-(bromomethyl)-2-[(4-chlorophenyl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name5-(bromomethyl)-2-[(4-chlorophenyl)methyl]-1,3-thiazole
PubChem CID82422430
Molecular FormulaC11H9BrClNS
Molecular Weight302.62 g/mol
Exact Mass300.93
IUPAC Name5-(bromomethyl)-2-[(4-chlorophenyl)methyl]-1,3-thiazole
SMILESClc1ccc(Cc2ncc(CBr)s2)cc1
InChIInChI=1S/C11H9BrClNS/c12-6-10-7-14-11(15-10)5-8-1-3-9(13)4-2-8/h1-4,7H,5-6H2
InChIKeyRGEIQGQAIHMWKP-UHFFFAOYSA-N
XLogP4.28
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.62
LogP ≤ 54.28
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 5-(bromomethyl)-2-[(4-chlorophenyl)methyl]-1,3-thiazole?
The IUPAC name of 5-(bromomethyl)-2-[(4-chlorophenyl)methyl]-1,3-thiazole (CID 82422430) is 5-(bromomethyl)-2-[(4-chlorophenyl)methyl]-1,3-thiazole.
What is the SMILES notation for 5-(bromomethyl)-2-[(4-chlorophenyl)methyl]-1,3-thiazole?
The canonical SMILES for 5-(bromomethyl)-2-[(4-chlorophenyl)methyl]-1,3-thiazole is Clc1ccc(Cc2ncc(CBr)s2)cc1.
What is the InChIKey of 5-(bromomethyl)-2-[(4-chlorophenyl)methyl]-1,3-thiazole?
The InChIKey is RGEIQGQAIHMWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClNS/c12-6-10-7-14-11(15-10)5-8-1-3-9(13)4-2-8/h1-4,7H,5-6H2.
What are the key properties of 5-(bromomethyl)-2-[(4-chlorophenyl)methyl]-1,3-thiazole?
5-(bromomethyl)-2-[(4-chlorophenyl)methyl]-1,3-thiazole has a molecular weight of 302.62 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-2-[(4-chlorophenyl)methyl]-1,3-thiazole is sourced from PubChem (CID 82422430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).