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

C19H19FN2S — CID 71712733

IUPAC5-cyclopentyl-2-[2-(3-fluorophenyl)ethynyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
SMILESFc1cccc(C#Cc2nc3c(s2)CN(C2CCCC2)CC3)c1
InChIInChI=1S/C19H19FN2S/c20-15-5-3-4-14(12-15)8-9-19-21-17-10-11-22(13-18(17)23-19)16-6-1-2-7-16/h3-5,12,16H,1-2,6-7,10-11,13H2
InChIKeyQEBQNZBNTROKNX-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.98
Rot. Bonds1

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

5-cyclopentyl-2-[2-(3-fluorophenyl)ethynyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 71712733) has the molecular formula C19H19FN2S and a molecular weight of 326.44 g/mol. Its IUPAC name is 5-cyclopentyl-2-[2-(3-fluorophenyl)ethynyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name5-cyclopentyl-2-[2-(3-fluorophenyl)ethynyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
PubChem CID71712733
Molecular FormulaC19H19FN2S
Molecular Weight326.44 g/mol
Exact Mass326.13
IUPAC Name5-cyclopentyl-2-[2-(3-fluorophenyl)ethynyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
SMILESFc1cccc(C#Cc2nc3c(s2)CN(C2CCCC2)CC3)c1
InChIInChI=1S/C19H19FN2S/c20-15-5-3-4-14(12-15)8-9-19-21-17-10-11-22(13-18(17)23-19)16-6-1-2-7-16/h3-5,12,16H,1-2,6-7,10-11,13H2
InChIKeyQEBQNZBNTROKNX-UHFFFAOYSA-N
XLogP3.98
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.98
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-cyclopentyl-2-[2-(3-fluorophenyl)ethynyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of 5-cyclopentyl-2-[2-(3-fluorophenyl)ethynyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine (CID 71712733) is 5-cyclopentyl-2-[2-(3-fluorophenyl)ethynyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for 5-cyclopentyl-2-[2-(3-fluorophenyl)ethynyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for 5-cyclopentyl-2-[2-(3-fluorophenyl)ethynyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine is Fc1cccc(C#Cc2nc3c(s2)CN(C2CCCC2)CC3)c1.
What is the InChIKey of 5-cyclopentyl-2-[2-(3-fluorophenyl)ethynyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is QEBQNZBNTROKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2S/c20-15-5-3-4-14(12-15)8-9-19-21-17-10-11-22(13-18(17)23-19)16-6-1-2-7-16/h3-5,12,16H,1-2,6-7,10-11,13H2.
What are the key properties of 5-cyclopentyl-2-[2-(3-fluorophenyl)ethynyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
5-cyclopentyl-2-[2-(3-fluorophenyl)ethynyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 326.44 g/mol, XLogP of 3.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-2-[2-(3-fluorophenyl)ethynyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 71712733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).