2-cyclopentyl-1-[2-[2-(4-fluorophenyl)ethynyl]-1,3-thiazol-5-yl]ethanone

C18H16FNOS — CID 58227557

IUPAC2-cyclopentyl-1-[2-[2-(4-fluorophenyl)ethynyl]-1,3-thiazol-5-yl]ethanone
SMILESO=C(CC1CCCC1)c1cnc(C#Cc2ccc(F)cc2)s1
InChIInChI=1S/C18H16FNOS/c19-15-8-5-13(6-9-15)7-10-18-20-12-17(22-18)16(21)11-14-3-1-2-4-14/h5-6,8-9,12,14H,1-4,11H2
InChIKeyPSCAHLBWCMKEQN-UHFFFAOYSA-N
MW313.40 g/mol
LogP4.45
Rot. Bonds3

About 2-cyclopentyl-1-[2-[2-(4-fluorophenyl)ethynyl]-1,3-thiazol-5-yl]ethanone

2-cyclopentyl-1-[2-[2-(4-fluorophenyl)ethynyl]-1,3-thiazol-5-yl]ethanone (PubChem CID 58227557) has the molecular formula C18H16FNOS and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-cyclopentyl-1-[2-[2-(4-fluorophenyl)ethynyl]-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-[2-[2-(4-fluorophenyl)ethynyl]-1,3-thiazol-5-yl]ethanone
PubChem CID58227557
Molecular FormulaC18H16FNOS
Molecular Weight313.40 g/mol
Exact Mass313.09
IUPAC Name2-cyclopentyl-1-[2-[2-(4-fluorophenyl)ethynyl]-1,3-thiazol-5-yl]ethanone
SMILESO=C(CC1CCCC1)c1cnc(C#Cc2ccc(F)cc2)s1
InChIInChI=1S/C18H16FNOS/c19-15-8-5-13(6-9-15)7-10-18-20-12-17(22-18)16(21)11-14-3-1-2-4-14/h5-6,8-9,12,14H,1-4,11H2
InChIKeyPSCAHLBWCMKEQN-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'}

Analyze 2-cyclopentyl-1-[2-[2-(4-fluorophenyl)ethynyl]-1,3-thiazol-5-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(1-Phenylcyclopentyl)-1,3-thiazol-5-yl]ethan-1-one
CID 63080619
Phenyl-5-thiazolylmethanone
CID 14042333
(2-Methyl-5-thiazolyl)phenylmethanone
CID 53933218
(4-Fluorophenyl)(2-phenyl-1,3-thiazol-5-yl)methanone
CID 5133473
4-Fluorophenyl-2-(2-Trifluoromethyl-5-Thiazolyl)Ethanone
CID 15239224
1-(4-Fluorophenyl)-2-(5-thiazolyl)ethanone
CID 19909712
(4-Fluorocyclohexyl)-[2-(2-phenylethynyl)-1,3-thiazol-5-yl]methanone
CID 51356497
(2,6-Difluorophenyl)-(1,3-thiazol-5-yl)methanone
CID 53810522
2-Cyclopentyl-1-[2-[2-(3-fluorophenyl)ethynyl]-1,3-thiazol-5-yl]ethanone
CID 58227440
2-Cyclopentyl-1-[2-[2-(2-fluorophenyl)ethynyl]-1,3-thiazol-5-yl]ethanone
CID 58227503
1-[2-(4-Fluorophenyl)-1,3-thiazol-5-yl]ethan-1-one
CID 62653892
(4-Fluorocyclohexyl)-(2-phenyl-1,3-thiazol-5-yl)methanone
CID 68375758

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-[2-[2-(4-fluorophenyl)ethynyl]-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 2-cyclopentyl-1-[2-[2-(4-fluorophenyl)ethynyl]-1,3-thiazol-5-yl]ethanone (CID 58227557) is 2-cyclopentyl-1-[2-[2-(4-fluorophenyl)ethynyl]-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 2-cyclopentyl-1-[2-[2-(4-fluorophenyl)ethynyl]-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 2-cyclopentyl-1-[2-[2-(4-fluorophenyl)ethynyl]-1,3-thiazol-5-yl]ethanone is O=C(CC1CCCC1)c1cnc(C#Cc2ccc(F)cc2)s1.
What is the InChIKey of 2-cyclopentyl-1-[2-[2-(4-fluorophenyl)ethynyl]-1,3-thiazol-5-yl]ethanone?
The InChIKey is PSCAHLBWCMKEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNOS/c19-15-8-5-13(6-9-15)7-10-18-20-12-17(22-18)16(21)11-14-3-1-2-4-14/h5-6,8-9,12,14H,1-4,11H2.
What are the key properties of 2-cyclopentyl-1-[2-[2-(4-fluorophenyl)ethynyl]-1,3-thiazol-5-yl]ethanone?
2-cyclopentyl-1-[2-[2-(4-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-(4-fluorophenyl)ethynyl]-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 58227557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).