2-bromo-1-(4-methyl-1,3-thiazol-2-yl)ethanone;hydrobromide

C6H7Br2NOS — CID 23003355

IUPAC2-bromo-1-(4-methyl-1,3-thiazol-2-yl)ethanone;hydrobromide
SMILESBr.Cc1csc(C(=O)CBr)n1
InChIInChI=1S/C6H6BrNOS.BrH/c1-4-3-10-6(8-4)5(9)2-7;/h3H,2H2,1H3;1H
InChIKeySRQWTORTNWOPCM-UHFFFAOYSA-N
MW301.00 g/mol
LogP2.61
Rot. Bonds2

About 2-bromo-1-(4-methyl-1,3-thiazol-2-yl)ethanone;hydrobromide

2-bromo-1-(4-methyl-1,3-thiazol-2-yl)ethanone;hydrobromide (PubChem CID 23003355) has the molecular formula C6H7Br2NOS and a molecular weight of 301.00 g/mol. Its IUPAC name is 2-bromo-1-(4-methyl-1,3-thiazol-2-yl)ethanone;hydrobromide.

Molecular Properties

Compound Name2-bromo-1-(4-methyl-1,3-thiazol-2-yl)ethanone;hydrobromide
PubChem CID23003355
Molecular FormulaC6H7Br2NOS
Molecular Weight301.00 g/mol
Exact Mass298.86
IUPAC Name2-bromo-1-(4-methyl-1,3-thiazol-2-yl)ethanone;hydrobromide
SMILESBr.Cc1csc(C(=O)CBr)n1
InChIInChI=1S/C6H6BrNOS.BrH/c1-4-3-10-6(8-4)5(9)2-7;/h3H,2H2,1H3;1H
InChIKeySRQWTORTNWOPCM-UHFFFAOYSA-N
XLogP2.61
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.00
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-bromo-1-(4-methyl-1,3-thiazol-2-yl)ethanone;hydrobromide?
The IUPAC name of 2-bromo-1-(4-methyl-1,3-thiazol-2-yl)ethanone;hydrobromide (CID 23003355) is 2-bromo-1-(4-methyl-1,3-thiazol-2-yl)ethanone;hydrobromide.
What is the SMILES notation for 2-bromo-1-(4-methyl-1,3-thiazol-2-yl)ethanone;hydrobromide?
The canonical SMILES for 2-bromo-1-(4-methyl-1,3-thiazol-2-yl)ethanone;hydrobromide is Br.Cc1csc(C(=O)CBr)n1.
What is the InChIKey of 2-bromo-1-(4-methyl-1,3-thiazol-2-yl)ethanone;hydrobromide?
The InChIKey is SRQWTORTNWOPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrNOS.BrH/c1-4-3-10-6(8-4)5(9)2-7;/h3H,2H2,1H3;1H.
What are the key properties of 2-bromo-1-(4-methyl-1,3-thiazol-2-yl)ethanone;hydrobromide?
2-bromo-1-(4-methyl-1,3-thiazol-2-yl)ethanone;hydrobromide has a molecular weight of 301.00 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(4-methyl-1,3-thiazol-2-yl)ethanone;hydrobromide is sourced from PubChem (CID 23003355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).