2-cyclopentyl-1-[2-[2-(3-fluorophenyl)ethynyl]-1,3-thiazol-5-yl]ethanone

C18H16FNOS — CID 58227440

IUPAC2-cyclopentyl-1-[2-[2-(3-fluorophenyl)ethynyl]-1,3-thiazol-5-yl]ethanone
SMILESO=C(CC1CCCC1)c1cnc(C#Cc2cccc(F)c2)s1
InChIInChI=1S/C18H16FNOS/c19-15-7-3-6-14(10-15)8-9-18-20-12-17(22-18)16(21)11-13-4-1-2-5-13/h3,6-7,10,12-13H,1-2,4-5,11H2
InChIKeyWGQRGHVOKQGJGJ-UHFFFAOYSA-N
MW313.40 g/mol
LogP4.45
Rot. Bonds3

About 2-cyclopentyl-1-[2-[2-(3-fluorophenyl)ethynyl]-1,3-thiazol-5-yl]ethanone

2-cyclopentyl-1-[2-[2-(3-fluorophenyl)ethynyl]-1,3-thiazol-5-yl]ethanone (PubChem CID 58227440) has the molecular formula C18H16FNOS and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-cyclopentyl-1-[2-[2-(3-fluorophenyl)ethynyl]-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[2-[2-(3-fluorophenyl)ethynyl]-1,3-thiazol-5-yl]ethanone
PubChem CID58227440
Molecular FormulaC18H16FNOS
Molecular Weight313.40 g/mol
Exact Mass313.09
IUPAC Name2-cyclopentyl-1-[2-[2-(3-fluorophenyl)ethynyl]-1,3-thiazol-5-yl]ethanone
SMILESO=C(CC1CCCC1)c1cnc(C#Cc2cccc(F)c2)s1
InChIInChI=1S/C18H16FNOS/c19-15-7-3-6-14(10-15)8-9-18-20-12-17(22-18)16(21)11-13-4-1-2-5-13/h3,6-7,10,12-13H,1-2,4-5,11H2
InChIKeyWGQRGHVOKQGJGJ-UHFFFAOYSA-N
XLogP4.45
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[2-[2-(3-fluorophenyl)ethynyl]-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 2-cyclopentyl-1-[2-[2-(3-fluorophenyl)ethynyl]-1,3-thiazol-5-yl]ethanone (CID 58227440) is 2-cyclopentyl-1-[2-[2-(3-fluorophenyl)ethynyl]-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 2-cyclopentyl-1-[2-[2-(3-fluorophenyl)ethynyl]-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 2-cyclopentyl-1-[2-[2-(3-fluorophenyl)ethynyl]-1,3-thiazol-5-yl]ethanone is O=C(CC1CCCC1)c1cnc(C#Cc2cccc(F)c2)s1.
What is the InChIKey of 2-cyclopentyl-1-[2-[2-(3-fluorophenyl)ethynyl]-1,3-thiazol-5-yl]ethanone?
The InChIKey is WGQRGHVOKQGJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNOS/c19-15-7-3-6-14(10-15)8-9-18-20-12-17(22-18)16(21)11-13-4-1-2-5-13/h3,6-7,10,12-13H,1-2,4-5,11H2.
What are the key properties of 2-cyclopentyl-1-[2-[2-(3-fluorophenyl)ethynyl]-1,3-thiazol-5-yl]ethanone?
2-cyclopentyl-1-[2-[2-(3-fluorophenyl)ethynyl]-1,3-thiazol-5-yl]ethanone has a molecular weight of 313.40 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-[2-[2-(3-fluorophenyl)ethynyl]-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 58227440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).