4-(3-Fluorophenylethynyl)-2-thiazolylamine

HCID 11629906

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Basic information

CAS: 878018-65-6
Standard SMILES: Nc1nc(C#Cc2cccc(F)c2)cs1
InChIKey: XTUCFPVDIBJRML-UHFFFAOYSA-N
Molecular formula: C11H7FN2S
Average molar mass: 218.25 g/mol
Monoisotopic mass: 218.03139757

Names & identifiers

Preferred name: 4-(3-Fluorophenylethynyl)-2-thiazolylamine
IUPAC: 4-[2-(3-fluorophenyl)ethynyl]-1,3-thiazol-2-amine

Names & synonyms

8KH9796NLC878018-65-6UNII-8KH9796NLCCHEMBL370559CHEMBL-3705592-Thiazolamine, 4-((3-fluorophenyl)ethynyl)-4-(2-(3-Fluorophenyl)ethynyl)-2-thiazolamine2-Thiazolamine, 4-(2-(3-fluorophenyl)ethynyl)-4-(2-(3-Fluorophenyl)ethynyl)-1,3-thiazol-2-amine4-(3-fluorophenylethynyl)-2-thiazolylamineSCHEMBL4140841BDBM50181770

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PD181702

Database identifiers

CAS: 878018-65-6
PubChem CID: 11629906
ChEMBL: CHEMBL370559
UNII: 8KH9796NLC

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 67.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 283

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