(4-fluorocyclohexyl)-[2-(2-phenylethynyl)-1,3-thiazol-5-yl]methanone

C18H16FNOS — CID 51356497

IUPAC(4-fluorocyclohexyl)-[2-(2-phenylethynyl)-1,3-thiazol-5-yl]methanone
SMILESO=C(c1cnc(C#Cc2ccccc2)s1)C1CCC(F)CC1
InChIInChI=1S/C18H16FNOS/c19-15-9-7-14(8-10-15)18(21)16-12-20-17(22-16)11-6-13-4-2-1-3-5-13/h1-5,12,14-15H,7-10H2
InChIKeyLSSUIPDNPSQICF-UHFFFAOYSA-N
MW313.40 g/mol
LogP4.25
Rot. Bonds2

About (4-fluorocyclohexyl)-[2-(2-phenylethynyl)-1,3-thiazol-5-yl]methanone

(4-fluorocyclohexyl)-[2-(2-phenylethynyl)-1,3-thiazol-5-yl]methanone (PubChem CID 51356497) has the molecular formula C18H16FNOS and a molecular weight of 313.40 g/mol. Its IUPAC name is (4-fluorocyclohexyl)-[2-(2-phenylethynyl)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name(4-fluorocyclohexyl)-[2-(2-phenylethynyl)-1,3-thiazol-5-yl]methanone
PubChem CID51356497
Molecular FormulaC18H16FNOS
Molecular Weight313.40 g/mol
Exact Mass313.09
IUPAC Name(4-fluorocyclohexyl)-[2-(2-phenylethynyl)-1,3-thiazol-5-yl]methanone
SMILESO=C(c1cnc(C#Cc2ccccc2)s1)C1CCC(F)CC1
InChIInChI=1S/C18H16FNOS/c19-15-9-7-14(8-10-15)18(21)16-12-20-17(22-16)11-6-13-4-2-1-3-5-13/h1-5,12,14-15H,7-10H2
InChIKeyLSSUIPDNPSQICF-UHFFFAOYSA-N
XLogP4.25
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4-fluorocyclohexyl)-[2-(2-phenylethynyl)-1,3-thiazol-5-yl]methanone with MolForge

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Related Compounds

Phenyl(2-phenyl-1,3-thiazol-5-yl)methanone
CID 3780158
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
(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
2-Cyclopentyl-1-[2-[2-(4-fluorophenyl)ethynyl]-1,3-thiazol-5-yl]ethanone
CID 58227557
(4-Fluorocyclohexyl)-(2-phenyl-1,3-thiazol-5-yl)methanone
CID 68375758

Frequently Asked Questions

What is the IUPAC name of (4-fluorocyclohexyl)-[2-(2-phenylethynyl)-1,3-thiazol-5-yl]methanone?
The IUPAC name of (4-fluorocyclohexyl)-[2-(2-phenylethynyl)-1,3-thiazol-5-yl]methanone (CID 51356497) is (4-fluorocyclohexyl)-[2-(2-phenylethynyl)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for (4-fluorocyclohexyl)-[2-(2-phenylethynyl)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for (4-fluorocyclohexyl)-[2-(2-phenylethynyl)-1,3-thiazol-5-yl]methanone is O=C(c1cnc(C#Cc2ccccc2)s1)C1CCC(F)CC1.
What is the InChIKey of (4-fluorocyclohexyl)-[2-(2-phenylethynyl)-1,3-thiazol-5-yl]methanone?
The InChIKey is LSSUIPDNPSQICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNOS/c19-15-9-7-14(8-10-15)18(21)16-12-20-17(22-16)11-6-13-4-2-1-3-5-13/h1-5,12,14-15H,7-10H2.
What are the key properties of (4-fluorocyclohexyl)-[2-(2-phenylethynyl)-1,3-thiazol-5-yl]methanone?
(4-fluorocyclohexyl)-[2-(2-phenylethynyl)-1,3-thiazol-5-yl]methanone has a molecular weight of 313.40 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorocyclohexyl)-[2-(2-phenylethynyl)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 51356497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).