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

C7H5BrClNOS — CID 122641773

IUPAC4-bromo-2-cyclopropyl-1,3-thiazole-5-carbonyl chloride
SMILESO=C(Cl)c1sc(C2CC2)nc1Br
InChIInChI=1S/C7H5BrClNOS/c8-5-4(6(9)11)12-7(10-5)3-1-2-3/h3H,1-2H2
InChIKeyCWRVQRNEMJPGJU-UHFFFAOYSA-N
MW266.55 g/mol
LogP3.16
Rot. Bonds2

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

4-bromo-2-cyclopropyl-1,3-thiazole-5-carbonyl chloride (PubChem CID 122641773) has the molecular formula C7H5BrClNOS and a molecular weight of 266.55 g/mol. Its IUPAC name is 4-bromo-2-cyclopropyl-1,3-thiazole-5-carbonyl chloride.

Molecular Properties

Compound Name4-bromo-2-cyclopropyl-1,3-thiazole-5-carbonyl chloride
PubChem CID122641773
Molecular FormulaC7H5BrClNOS
Molecular Weight266.55 g/mol
Exact Mass264.90
IUPAC Name4-bromo-2-cyclopropyl-1,3-thiazole-5-carbonyl chloride
SMILESO=C(Cl)c1sc(C2CC2)nc1Br
InChIInChI=1S/C7H5BrClNOS/c8-5-4(6(9)11)12-7(10-5)3-1-2-3/h3H,1-2H2
InChIKeyCWRVQRNEMJPGJU-UHFFFAOYSA-N
XLogP3.16
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.55
LogP ≤ 53.16
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 4-bromo-2-cyclopropyl-1,3-thiazole-5-carbonyl chloride?
The IUPAC name of 4-bromo-2-cyclopropyl-1,3-thiazole-5-carbonyl chloride (CID 122641773) is 4-bromo-2-cyclopropyl-1,3-thiazole-5-carbonyl chloride.
What is the SMILES notation for 4-bromo-2-cyclopropyl-1,3-thiazole-5-carbonyl chloride?
The canonical SMILES for 4-bromo-2-cyclopropyl-1,3-thiazole-5-carbonyl chloride is O=C(Cl)c1sc(C2CC2)nc1Br.
What is the InChIKey of 4-bromo-2-cyclopropyl-1,3-thiazole-5-carbonyl chloride?
The InChIKey is CWRVQRNEMJPGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrClNOS/c8-5-4(6(9)11)12-7(10-5)3-1-2-3/h3H,1-2H2.
What are the key properties of 4-bromo-2-cyclopropyl-1,3-thiazole-5-carbonyl chloride?
4-bromo-2-cyclopropyl-1,3-thiazole-5-carbonyl chloride has a molecular weight of 266.55 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-cyclopropyl-1,3-thiazole-5-carbonyl chloride is sourced from PubChem (CID 122641773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).