4-bromo-2-(bromomethyl)-1,3-thiazole;hydrobromide

C4H4Br3NS — CID 155977847

IUPAC4-bromo-2-(bromomethyl)-1,3-thiazole;hydrobromide
SMILESBr.BrCc1nc(Br)cs1
InChIInChI=1S/C4H3Br2NS.BrH/c5-1-4-7-3(6)2-8-4;/h2H,1H2;1H
InChIKeyXNGYNWXMAJTCQF-UHFFFAOYSA-N
MW337.86 g/mol
LogP3.38
Rot. Bonds1

About 4-bromo-2-(bromomethyl)-1,3-thiazole;hydrobromide

4-bromo-2-(bromomethyl)-1,3-thiazole;hydrobromide (PubChem CID 155977847) has the molecular formula C4H4Br3NS and a molecular weight of 337.86 g/mol. Its IUPAC name is 4-bromo-2-(bromomethyl)-1,3-thiazole;hydrobromide.

Molecular Properties

Compound Name4-bromo-2-(bromomethyl)-1,3-thiazole;hydrobromide
PubChem CID155977847
Molecular FormulaC4H4Br3NS
Molecular Weight337.86 g/mol
Exact Mass334.76
IUPAC Name4-bromo-2-(bromomethyl)-1,3-thiazole;hydrobromide
SMILESBr.BrCc1nc(Br)cs1
InChIInChI=1S/C4H3Br2NS.BrH/c5-1-4-7-3(6)2-8-4;/h2H,1H2;1H
InChIKeyXNGYNWXMAJTCQF-UHFFFAOYSA-N
XLogP3.38
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.86
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Bromo-2-isopropyl-1,3-thiazole
CID 2763182
2,4-Dibromo-1,3-thiazole
CID 2763297
4-Bromo-2-methyl-1,3-thiazole
CID 2763186
4-Bromo-2-methoxy-1,3-thiazole
CID 2763266
4-Bromo-2-(methylthio)-1,3-thiazole
CID 16427094
4-Bromo-2-chlorothiazole
CID 11701210
4-Bromo-2-iodothiazole
CID 13662078
4-Bromo-2-(trifluoromethyl)-1,3-thiazole
CID 15122066
4-Bromo-1,3-thiazole-2-carbonitrile
CID 45787503
4-Bromo-2-(tert-butyl)thiazole
CID 45787741
4-Bromo-2-fluoro-1,3-thiazole
CID 66521142
4-Bromo-2-(difluoromethyl)-1,3-thiazole
CID 84783298

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(bromomethyl)-1,3-thiazole;hydrobromide?
The IUPAC name of 4-bromo-2-(bromomethyl)-1,3-thiazole;hydrobromide (CID 155977847) is 4-bromo-2-(bromomethyl)-1,3-thiazole;hydrobromide.
What is the SMILES notation for 4-bromo-2-(bromomethyl)-1,3-thiazole;hydrobromide?
The canonical SMILES for 4-bromo-2-(bromomethyl)-1,3-thiazole;hydrobromide is Br.BrCc1nc(Br)cs1.
What is the InChIKey of 4-bromo-2-(bromomethyl)-1,3-thiazole;hydrobromide?
The InChIKey is XNGYNWXMAJTCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3Br2NS.BrH/c5-1-4-7-3(6)2-8-4;/h2H,1H2;1H.
What are the key properties of 4-bromo-2-(bromomethyl)-1,3-thiazole;hydrobromide?
4-bromo-2-(bromomethyl)-1,3-thiazole;hydrobromide has a molecular weight of 337.86 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(bromomethyl)-1,3-thiazole;hydrobromide is sourced from PubChem (CID 155977847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).