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

C18H17FN2S — CID 71712732

IUPAC5-cyclobutyl-2-[2-(3-fluorophenyl)ethynyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
SMILESFc1cccc(C#Cc2nc3c(s2)CN(C2CCC2)CC3)c1
InChIInChI=1S/C18H17FN2S/c19-14-4-1-3-13(11-14)7-8-18-20-16-9-10-21(12-17(16)22-18)15-5-2-6-15/h1,3-4,11,15H,2,5-6,9-10,12H2
InChIKeyRIBGQZYTHLVWHH-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.59
Rot. Bonds1

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

5-cyclobutyl-2-[2-(3-fluorophenyl)ethynyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 71712732) has the molecular formula C18H17FN2S and a molecular weight of 312.41 g/mol. Its IUPAC name is 5-cyclobutyl-2-[2-(3-fluorophenyl)ethynyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name5-cyclobutyl-2-[2-(3-fluorophenyl)ethynyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
PubChem CID71712732
Molecular FormulaC18H17FN2S
Molecular Weight312.41 g/mol
Exact Mass312.11
IUPAC Name5-cyclobutyl-2-[2-(3-fluorophenyl)ethynyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
SMILESFc1cccc(C#Cc2nc3c(s2)CN(C2CCC2)CC3)c1
InChIInChI=1S/C18H17FN2S/c19-14-4-1-3-13(11-14)7-8-18-20-16-9-10-21(12-17(16)22-18)15-5-2-6-15/h1,3-4,11,15H,2,5-6,9-10,12H2
InChIKeyRIBGQZYTHLVWHH-UHFFFAOYSA-N
XLogP3.59
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.59
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-cyclobutyl-2-[2-(3-fluorophenyl)ethynyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of 5-cyclobutyl-2-[2-(3-fluorophenyl)ethynyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine (CID 71712732) is 5-cyclobutyl-2-[2-(3-fluorophenyl)ethynyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for 5-cyclobutyl-2-[2-(3-fluorophenyl)ethynyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for 5-cyclobutyl-2-[2-(3-fluorophenyl)ethynyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine is Fc1cccc(C#Cc2nc3c(s2)CN(C2CCC2)CC3)c1.
What is the InChIKey of 5-cyclobutyl-2-[2-(3-fluorophenyl)ethynyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is RIBGQZYTHLVWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2S/c19-14-4-1-3-13(11-14)7-8-18-20-16-9-10-21(12-17(16)22-18)15-5-2-6-15/h1,3-4,11,15H,2,5-6,9-10,12H2.
What are the key properties of 5-cyclobutyl-2-[2-(3-fluorophenyl)ethynyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
5-cyclobutyl-2-[2-(3-fluorophenyl)ethynyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 312.41 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-2-[2-(3-fluorophenyl)ethynyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 71712732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).