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

C5H6BrNS — CID 55250786

IUPAC5-(bromomethyl)-2-methyl-1,3-thiazole
SMILESCc1ncc(CBr)s1
InChIInChI=1S/C5H6BrNS/c1-4-7-3-5(2-6)8-4/h3H,2H2,1H3
InChIKeyWKOAATBPJLXWLP-UHFFFAOYSA-N
MW192.08 g/mol
LogP2.35
Rot. Bonds1

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

5-(bromomethyl)-2-methyl-1,3-thiazole (PubChem CID 55250786) has the molecular formula C5H6BrNS and a molecular weight of 192.08 g/mol. Its IUPAC name is 5-(bromomethyl)-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-(bromomethyl)-2-methyl-1,3-thiazole
PubChem CID55250786
Molecular FormulaC5H6BrNS
Molecular Weight192.08 g/mol
Exact Mass190.94
IUPAC Name5-(bromomethyl)-2-methyl-1,3-thiazole
SMILESCc1ncc(CBr)s1
InChIInChI=1S/C5H6BrNS/c1-4-7-3-5(2-6)8-4/h3H,2H2,1H3
InChIKeyWKOAATBPJLXWLP-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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Related Compounds

(2-methyl-1,3-thiazol-5-yl)methanethiol
CID 82514756
5-[2,2-bis(bromomethyl)butyl]-2-methyl-1,3-thiazole
CID 79456438
(2S)-1-(2-methyl-1,3-thiazol-5-yl)propan-2-amine
CID 95426522
5-(bromomethyl)-2-propyl-1,3-thiazole
CID 82422468
O-[(2-methyl-1,3-thiazol-5-yl)methyl]hydroxylamine;dihydrochloride
CID 155978412
5-[[3,5-bis[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,5-triazinan-1-yl]methyl]-2-methyl-1,3-thiazole
CID 59815005
2,5-dimethyl-1,3-thiazole;ethane
CID 123921924
5-but-3-enyl-2-methyl-1,3-thiazole
CID 145451316
1,1-dimethyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]hydrazine
CID 83003423
2-[(2-methyl-1,3-thiazol-5-yl)methyl]propane-1,3-diol
CID 79449809
5-(3-bromo-2-phenylpropyl)-2-methyl-1,3-thiazole
CID 66042860
5-[(1-fluorocyclohexyl)methyl]-2-methyl-1,3-thiazole
CID 170152111

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-2-methyl-1,3-thiazole?
The IUPAC name of 5-(bromomethyl)-2-methyl-1,3-thiazole (CID 55250786) is 5-(bromomethyl)-2-methyl-1,3-thiazole.
What is the SMILES notation for 5-(bromomethyl)-2-methyl-1,3-thiazole?
The canonical SMILES for 5-(bromomethyl)-2-methyl-1,3-thiazole is Cc1ncc(CBr)s1.
What is the InChIKey of 5-(bromomethyl)-2-methyl-1,3-thiazole?
The InChIKey is WKOAATBPJLXWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrNS/c1-4-7-3-5(2-6)8-4/h3H,2H2,1H3.
What are the key properties of 5-(bromomethyl)-2-methyl-1,3-thiazole?
5-(bromomethyl)-2-methyl-1,3-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 5-(bromomethyl)-2-methyl-1,3-thiazole is sourced from PubChem (CID 55250786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).