5-ethyl-2-[2-(3-fluorophenyl)ethynyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine

C16H15FN2S — CID 71712728

IUPAC5-ethyl-2-[2-(3-fluorophenyl)ethynyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
SMILESCCN1CCc2nc(C#Cc3cccc(F)c3)sc2C1
InChIInChI=1S/C16H15FN2S/c1-2-19-9-8-14-15(11-19)20-16(18-14)7-6-12-4-3-5-13(17)10-12/h3-5,10H,2,8-9,11H2,1H3
InChIKeyRPOGBBRGHWMBAF-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.06
Rot. Bonds1

About 5-ethyl-2-[2-(3-fluorophenyl)ethynyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine

5-ethyl-2-[2-(3-fluorophenyl)ethynyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 71712728) has the molecular formula C16H15FN2S and a molecular weight of 286.38 g/mol. Its IUPAC name is 5-ethyl-2-[2-(3-fluorophenyl)ethynyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name5-ethyl-2-[2-(3-fluorophenyl)ethynyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
PubChem CID71712728
Molecular FormulaC16H15FN2S
Molecular Weight286.38 g/mol
Exact Mass286.09
IUPAC Name5-ethyl-2-[2-(3-fluorophenyl)ethynyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
SMILESCCN1CCc2nc(C#Cc3cccc(F)c3)sc2C1
InChIInChI=1S/C16H15FN2S/c1-2-19-9-8-14-15(11-19)20-16(18-14)7-6-12-4-3-5-13(17)10-12/h3-5,10H,2,8-9,11H2,1H3
InChIKeyRPOGBBRGHWMBAF-UHFFFAOYSA-N
XLogP3.06
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.06
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 5-ethyl-2-[2-(3-fluorophenyl)ethynyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of 5-ethyl-2-[2-(3-fluorophenyl)ethynyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine (CID 71712728) is 5-ethyl-2-[2-(3-fluorophenyl)ethynyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for 5-ethyl-2-[2-(3-fluorophenyl)ethynyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for 5-ethyl-2-[2-(3-fluorophenyl)ethynyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine is CCN1CCc2nc(C#Cc3cccc(F)c3)sc2C1.
What is the InChIKey of 5-ethyl-2-[2-(3-fluorophenyl)ethynyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is RPOGBBRGHWMBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2S/c1-2-19-9-8-14-15(11-19)20-16(18-14)7-6-12-4-3-5-13(17)10-12/h3-5,10H,2,8-9,11H2,1H3.
What are the key properties of 5-ethyl-2-[2-(3-fluorophenyl)ethynyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
5-ethyl-2-[2-(3-fluorophenyl)ethynyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 286.38 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[2-(3-fluorophenyl)ethynyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 71712728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).