2-bromo-4-ethyl-1,3-thiazole-5-carbonyl chloride

C6H5BrClNOS — CID 142626123

IUPAC2-bromo-4-ethyl-1,3-thiazole-5-carbonyl chloride
SMILESCCc1nc(Br)sc1C(=O)Cl
InChIInChI=1S/C6H5BrClNOS/c1-2-3-4(5(8)10)11-6(7)9-3/h2H2,1H3
InChIKeyFJWKISPCIDEABJ-UHFFFAOYSA-N
MW254.54 g/mol
LogP2.85
Rot. Bonds2

About 2-bromo-4-ethyl-1,3-thiazole-5-carbonyl chloride

2-bromo-4-ethyl-1,3-thiazole-5-carbonyl chloride (PubChem CID 142626123) has the molecular formula C6H5BrClNOS and a molecular weight of 254.54 g/mol. Its IUPAC name is 2-bromo-4-ethyl-1,3-thiazole-5-carbonyl chloride.

Molecular Properties

Compound Name2-bromo-4-ethyl-1,3-thiazole-5-carbonyl chloride
PubChem CID142626123
Molecular FormulaC6H5BrClNOS
Molecular Weight254.54 g/mol
Exact Mass252.90
IUPAC Name2-bromo-4-ethyl-1,3-thiazole-5-carbonyl chloride
SMILESCCc1nc(Br)sc1C(=O)Cl
InChIInChI=1S/C6H5BrClNOS/c1-2-3-4(5(8)10)11-6(7)9-3/h2H2,1H3
InChIKeyFJWKISPCIDEABJ-UHFFFAOYSA-N
XLogP2.85
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.54
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-ethyl-1,3-thiazole-5-carbonyl chloride?
The IUPAC name of 2-bromo-4-ethyl-1,3-thiazole-5-carbonyl chloride (CID 142626123) is 2-bromo-4-ethyl-1,3-thiazole-5-carbonyl chloride.
What is the SMILES notation for 2-bromo-4-ethyl-1,3-thiazole-5-carbonyl chloride?
The canonical SMILES for 2-bromo-4-ethyl-1,3-thiazole-5-carbonyl chloride is CCc1nc(Br)sc1C(=O)Cl.
What is the InChIKey of 2-bromo-4-ethyl-1,3-thiazole-5-carbonyl chloride?
The InChIKey is FJWKISPCIDEABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrClNOS/c1-2-3-4(5(8)10)11-6(7)9-3/h2H2,1H3.
What are the key properties of 2-bromo-4-ethyl-1,3-thiazole-5-carbonyl chloride?
2-bromo-4-ethyl-1,3-thiazole-5-carbonyl chloride has a molecular weight of 254.54 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-ethyl-1,3-thiazole-5-carbonyl chloride is sourced from PubChem (CID 142626123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).