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

C5H6BrNS — CID 130713297

IUPAC3-(bromomethyl)-5-methyl-1,2-thiazole
SMILESCc1cc(CBr)ns1
InChIInChI=1S/C5H6BrNS/c1-4-2-5(3-6)7-8-4/h2H,3H2,1H3
InChIKeyILKVQXQHMCWZEZ-UHFFFAOYSA-N
MW192.08 g/mol
LogP2.35
Rot. Bonds1

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

3-(bromomethyl)-5-methyl-1,2-thiazole (PubChem CID 130713297) has the molecular formula C5H6BrNS and a molecular weight of 192.08 g/mol. Its IUPAC name is 3-(bromomethyl)-5-methyl-1,2-thiazole.

Molecular Properties

Compound Name3-(bromomethyl)-5-methyl-1,2-thiazole
PubChem CID130713297
Molecular FormulaC5H6BrNS
Molecular Weight192.08 g/mol
Exact Mass190.94
IUPAC Name3-(bromomethyl)-5-methyl-1,2-thiazole
SMILESCc1cc(CBr)ns1
InChIInChI=1S/C5H6BrNS/c1-4-2-5(3-6)7-8-4/h2H,3H2,1H3
InChIKeyILKVQXQHMCWZEZ-UHFFFAOYSA-N
XLogP2.35
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.08
LogP ≤ 52.35
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-methyl-1,2-thiazole?
The IUPAC name of 3-(bromomethyl)-5-methyl-1,2-thiazole (CID 130713297) is 3-(bromomethyl)-5-methyl-1,2-thiazole.
What is the SMILES notation for 3-(bromomethyl)-5-methyl-1,2-thiazole?
The canonical SMILES for 3-(bromomethyl)-5-methyl-1,2-thiazole is Cc1cc(CBr)ns1.
What is the InChIKey of 3-(bromomethyl)-5-methyl-1,2-thiazole?
The InChIKey is ILKVQXQHMCWZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrNS/c1-4-2-5(3-6)7-8-4/h2H,3H2,1H3.
What are the key properties of 3-(bromomethyl)-5-methyl-1,2-thiazole?
3-(bromomethyl)-5-methyl-1,2-thiazole has a molecular weight of 192.08 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-5-methyl-1,2-thiazole is sourced from PubChem (CID 130713297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).