oxolan-3-yl-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone

C19H18N2O2S — CID 71713169

IUPACoxolan-3-yl-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone
SMILESO=C(C1CCOC1)N1CCc2nc(C#Cc3ccccc3)sc2C1
InChIInChI=1S/C19H18N2O2S/c22-19(15-9-11-23-13-15)21-10-8-16-17(12-21)24-18(20-16)7-6-14-4-2-1-3-5-14/h1-5,15H,8-13H2
InChIKeyVDPVHWGVEQPQDX-UHFFFAOYSA-N
MW338.43 g/mol
LogP2.46
Rot. Bonds1

About oxolan-3-yl-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone

oxolan-3-yl-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone (PubChem CID 71713169) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is oxolan-3-yl-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Nameoxolan-3-yl-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone
PubChem CID71713169
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC Nameoxolan-3-yl-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone
SMILESO=C(C1CCOC1)N1CCc2nc(C#Cc3ccccc3)sc2C1
InChIInChI=1S/C19H18N2O2S/c22-19(15-9-11-23-13-15)21-10-8-16-17(12-21)24-18(20-16)7-6-14-4-2-1-3-5-14/h1-5,15H,8-13H2
InChIKeyVDPVHWGVEQPQDX-UHFFFAOYSA-N
XLogP2.46
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze oxolan-3-yl-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone?
The IUPAC name of oxolan-3-yl-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone (CID 71713169) is oxolan-3-yl-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone.
What is the SMILES notation for oxolan-3-yl-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone?
The canonical SMILES for oxolan-3-yl-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone is O=C(C1CCOC1)N1CCc2nc(C#Cc3ccccc3)sc2C1.
What is the InChIKey of oxolan-3-yl-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone?
The InChIKey is VDPVHWGVEQPQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c22-19(15-9-11-23-13-15)21-10-8-16-17(12-21)24-18(20-16)7-6-14-4-2-1-3-5-14/h1-5,15H,8-13H2.
What are the key properties of oxolan-3-yl-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone?
oxolan-3-yl-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone has a molecular weight of 338.43 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl-[2-(2-phenylethynyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone is sourced from PubChem (CID 71713169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).