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

C18H17FN2OS — CID 71712734

IUPAC2-[2-(3-fluorophenyl)ethynyl]-5-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
SMILESFc1cccc(C#Cc2nc3c(s2)CN(C2CCOC2)CC3)c1
InChIInChI=1S/C18H17FN2OS/c19-14-3-1-2-13(10-14)4-5-18-20-16-6-8-21(11-17(16)23-18)15-7-9-22-12-15/h1-3,10,15H,6-9,11-12H2
InChIKeyWSMPBCKNEHARNX-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.83
Rot. Bonds1

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

2-[2-(3-fluorophenyl)ethynyl]-5-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 71712734) has the molecular formula C18H17FN2OS and a molecular weight of 328.41 g/mol. Its IUPAC name is 2-[2-(3-fluorophenyl)ethynyl]-5-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name2-[2-(3-fluorophenyl)ethynyl]-5-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
PubChem CID71712734
Molecular FormulaC18H17FN2OS
Molecular Weight328.41 g/mol
Exact Mass328.10
IUPAC Name2-[2-(3-fluorophenyl)ethynyl]-5-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
SMILESFc1cccc(C#Cc2nc3c(s2)CN(C2CCOC2)CC3)c1
InChIInChI=1S/C18H17FN2OS/c19-14-3-1-2-13(10-14)4-5-18-20-16-6-8-21(11-17(16)23-18)15-7-9-22-12-15/h1-3,10,15H,6-9,11-12H2
InChIKeyWSMPBCKNEHARNX-UHFFFAOYSA-N
XLogP2.83
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
CID 71712584
5-ethyl-2-[2-(3-fluorophenyl)ethynyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
CID 71712728
5-butyl-2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
CID 71712729
5-(3-methylbutyl)-2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
CID 71712730
5-(2-methylpropyl)-2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
CID 71712731
5-cyclobutyl-2-[2-(3-fluorophenyl)ethynyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
CID 71712732
5-cyclopentyl-2-[2-(3-fluorophenyl)ethynyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
CID 71712733
1-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]propan-1-one
CID 71712878
oxolan-3-yl-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone
CID 71713169
oxolan-2-yl-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone
CID 71713170
2-(2-phenylethynyl)-5-pyrrolidin-1-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
CID 71713610
4-[[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]sulfonyl]morpholine
CID 71713762

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluorophenyl)ethynyl]-5-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of 2-[2-(3-fluorophenyl)ethynyl]-5-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine (CID 71712734) is 2-[2-(3-fluorophenyl)ethynyl]-5-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for 2-[2-(3-fluorophenyl)ethynyl]-5-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for 2-[2-(3-fluorophenyl)ethynyl]-5-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine is Fc1cccc(C#Cc2nc3c(s2)CN(C2CCOC2)CC3)c1.
What is the InChIKey of 2-[2-(3-fluorophenyl)ethynyl]-5-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is WSMPBCKNEHARNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2OS/c19-14-3-1-2-13(10-14)4-5-18-20-16-6-8-21(11-17(16)23-18)15-7-9-22-12-15/h1-3,10,15H,6-9,11-12H2.
What are the key properties of 2-[2-(3-fluorophenyl)ethynyl]-5-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
2-[2-(3-fluorophenyl)ethynyl]-5-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 328.41 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluorophenyl)ethynyl]-5-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 71712734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).