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

C6H7BrClNOS — CID 121225631

IUPAC2-bromo-1-(4-methyl-1,3-thiazol-2-yl)ethanone;hydrochloride
SMILESCc1csc(C(=O)CBr)n1.Cl
InChIInChI=1S/C6H6BrNOS.ClH/c1-4-3-10-6(8-4)5(9)2-7;/h3H,2H2,1H3;1H
InChIKeyAVXRKESGISFPRG-UHFFFAOYSA-N
MW256.55 g/mol
LogP2.45
Rot. Bonds2

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

2-bromo-1-(4-methyl-1,3-thiazol-2-yl)ethanone;hydrochloride (PubChem CID 121225631) has the molecular formula C6H7BrClNOS and a molecular weight of 256.55 g/mol. Its IUPAC name is 2-bromo-1-(4-methyl-1,3-thiazol-2-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-bromo-1-(4-methyl-1,3-thiazol-2-yl)ethanone;hydrochloride
PubChem CID121225631
Molecular FormulaC6H7BrClNOS
Molecular Weight256.55 g/mol
Exact Mass254.91
IUPAC Name2-bromo-1-(4-methyl-1,3-thiazol-2-yl)ethanone;hydrochloride
SMILESCc1csc(C(=O)CBr)n1.Cl
InChIInChI=1S/C6H6BrNOS.ClH/c1-4-3-10-6(8-4)5(9)2-7;/h3H,2H2,1H3;1H
InChIKeyAVXRKESGISFPRG-UHFFFAOYSA-N
XLogP2.45
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.55
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-1-(4-methyl-1,3-thiazol-2-yl)ethanone;hydrobromide
CID 23003355
1-(4-methyl-1,3-thiazol-2-yl)butan-1-one
CID 20560347
2,2-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)propan-1-one
CID 83388796
4-methyl-N-propyl-1,3-thiazole-2-carboxamide
CID 110696075
4-bromo-2-methyl-1,3-thiazole;2,4-dibromo-1,3-thiazole;methyl 2-(2-bromoacetyl)-1,3-thiazole-4-carboxylate;methyl 2-methyl-1,3-thiazole-4-carboxylate
CID 158679286
(Z)-2-ethyl-3-(4-methyl-1,3-thiazol-2-yl)but-2-enoic acid
CID 165441170
4-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-2-carboxamide
CID 110696245
N-(2-bromophenyl)-4-methyl-1,3-thiazole-2-carboxamide
CID 110696235
2-hydroxyimino-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 135436049
CID 131842856
CID 131842856
2-hydroxyimino-2-(4-methyl-1,3-thiazol-2-yl)acetamide;silver
CID 135519768
azepan-1-yl-(4-methyl-1,3-thiazol-2-yl)methanone
CID 110696169

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(4-methyl-1,3-thiazol-2-yl)ethanone;hydrochloride?
The IUPAC name of 2-bromo-1-(4-methyl-1,3-thiazol-2-yl)ethanone;hydrochloride (CID 121225631) is 2-bromo-1-(4-methyl-1,3-thiazol-2-yl)ethanone;hydrochloride.
What is the SMILES notation for 2-bromo-1-(4-methyl-1,3-thiazol-2-yl)ethanone;hydrochloride?
The canonical SMILES for 2-bromo-1-(4-methyl-1,3-thiazol-2-yl)ethanone;hydrochloride is Cc1csc(C(=O)CBr)n1.Cl.
What is the InChIKey of 2-bromo-1-(4-methyl-1,3-thiazol-2-yl)ethanone;hydrochloride?
The InChIKey is AVXRKESGISFPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrNOS.ClH/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;hydrochloride?
2-bromo-1-(4-methyl-1,3-thiazol-2-yl)ethanone;hydrochloride has a molecular weight of 256.55 g/mol, XLogP of 2.45, 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;hydrochloride is sourced from PubChem (CID 121225631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).