3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-6-carbonyl chloride

C7H2ClF3N2OS — CID 125474072

IUPAC3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-6-carbonyl chloride
SMILESO=C(Cl)c1cn2c(C(F)(F)F)csc2n1
InChIInChI=1S/C7H2ClF3N2OS/c8-5(14)3-1-13-4(7(9,10)11)2-15-6(13)12-3/h1-2H
InChIKeyWJBKLJODXNQGMF-UHFFFAOYSA-N
MW254.62 g/mol
LogP2.79
Rot. Bonds1

About 3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-6-carbonyl chloride

3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-6-carbonyl chloride (PubChem CID 125474072) has the molecular formula C7H2ClF3N2OS and a molecular weight of 254.62 g/mol. Its IUPAC name is 3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-6-carbonyl chloride.

Molecular Properties

Compound Name3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-6-carbonyl chloride
PubChem CID125474072
Molecular FormulaC7H2ClF3N2OS
Molecular Weight254.62 g/mol
Exact Mass253.95
IUPAC Name3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-6-carbonyl chloride
SMILESO=C(Cl)c1cn2c(C(F)(F)F)csc2n1
InChIInChI=1S/C7H2ClF3N2OS/c8-5(14)3-1-13-4(7(9,10)11)2-15-6(13)12-3/h1-2H
InChIKeyWJBKLJODXNQGMF-UHFFFAOYSA-N
XLogP2.79
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.62
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-6-carbonyl chloride?
The IUPAC name of 3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-6-carbonyl chloride (CID 125474072) is 3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-6-carbonyl chloride.
What is the SMILES notation for 3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-6-carbonyl chloride?
The canonical SMILES for 3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-6-carbonyl chloride is O=C(Cl)c1cn2c(C(F)(F)F)csc2n1.
What is the InChIKey of 3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-6-carbonyl chloride?
The InChIKey is WJBKLJODXNQGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2ClF3N2OS/c8-5(14)3-1-13-4(7(9,10)11)2-15-6(13)12-3/h1-2H.
What are the key properties of 3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-6-carbonyl chloride?
3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-6-carbonyl chloride has a molecular weight of 254.62 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole-6-carbonyl chloride is sourced from PubChem (CID 125474072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).