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

C4H3BrClNS — CID 20557627

IUPAC3-(bromomethyl)-5-chloro-1,2-thiazole
SMILESClc1cc(CBr)ns1
InChIInChI=1S/C4H3BrClNS/c5-2-3-1-4(6)8-7-3/h1H,2H2
InChIKeyPCGYPXGXVXFFEN-UHFFFAOYSA-N
MW212.50 g/mol
LogP2.69
Rot. Bonds1

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

3-(bromomethyl)-5-chloro-1,2-thiazole (PubChem CID 20557627) has the molecular formula C4H3BrClNS and a molecular weight of 212.50 g/mol. Its IUPAC name is 3-(bromomethyl)-5-chloro-1,2-thiazole.

Molecular Properties

Compound Name3-(bromomethyl)-5-chloro-1,2-thiazole
PubChem CID20557627
Molecular FormulaC4H3BrClNS
Molecular Weight212.50 g/mol
Exact Mass210.89
IUPAC Name3-(bromomethyl)-5-chloro-1,2-thiazole
SMILESClc1cc(CBr)ns1
InChIInChI=1S/C4H3BrClNS/c5-2-3-1-4(6)8-7-3/h1H,2H2
InChIKeyPCGYPXGXVXFFEN-UHFFFAOYSA-N
XLogP2.69
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.50
LogP ≤ 52.69
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-chloro-1,2-thiazole?
The IUPAC name of 3-(bromomethyl)-5-chloro-1,2-thiazole (CID 20557627) is 3-(bromomethyl)-5-chloro-1,2-thiazole.
What is the SMILES notation for 3-(bromomethyl)-5-chloro-1,2-thiazole?
The canonical SMILES for 3-(bromomethyl)-5-chloro-1,2-thiazole is Clc1cc(CBr)ns1.
What is the InChIKey of 3-(bromomethyl)-5-chloro-1,2-thiazole?
The InChIKey is PCGYPXGXVXFFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3BrClNS/c5-2-3-1-4(6)8-7-3/h1H,2H2.
What are the key properties of 3-(bromomethyl)-5-chloro-1,2-thiazole?
3-(bromomethyl)-5-chloro-1,2-thiazole has a molecular weight of 212.50 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-5-chloro-1,2-thiazole is sourced from PubChem (CID 20557627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).