5-(2-methoxyethyl)-2-(2-phenylethynyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one

C17H16N2O2S — CID 53246141

IUPAC5-(2-methoxyethyl)-2-(2-phenylethynyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESCOCCN1CCc2nc(C#Cc3ccccc3)sc2C1=O
InChIInChI=1S/C17H16N2O2S/c1-21-12-11-19-10-9-14-16(17(19)20)22-15(18-14)8-7-13-5-3-2-4-6-13/h2-6H,9-12H2,1H3
InChIKeyYEGGTYXKNVWGDJ-UHFFFAOYSA-N
MW312.39 g/mol
LogP2.19
Rot. Bonds3

About 5-(2-methoxyethyl)-2-(2-phenylethynyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one

5-(2-methoxyethyl)-2-(2-phenylethynyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one (PubChem CID 53246141) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is 5-(2-methoxyethyl)-2-(2-phenylethynyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one.

Molecular Properties

Compound Name5-(2-methoxyethyl)-2-(2-phenylethynyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
PubChem CID53246141
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC Name5-(2-methoxyethyl)-2-(2-phenylethynyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESCOCCN1CCc2nc(C#Cc3ccccc3)sc2C1=O
InChIInChI=1S/C17H16N2O2S/c1-21-12-11-19-10-9-14-16(17(19)20)22-15(18-14)8-7-13-5-3-2-4-6-13/h2-6H,9-12H2,1H3
InChIKeyYEGGTYXKNVWGDJ-UHFFFAOYSA-N
XLogP2.19
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(2-methoxyethyl)-2-(2-phenylethynyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
The IUPAC name of 5-(2-methoxyethyl)-2-(2-phenylethynyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one (CID 53246141) is 5-(2-methoxyethyl)-2-(2-phenylethynyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one.
What is the SMILES notation for 5-(2-methoxyethyl)-2-(2-phenylethynyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
The canonical SMILES for 5-(2-methoxyethyl)-2-(2-phenylethynyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one is COCCN1CCc2nc(C#Cc3ccccc3)sc2C1=O.
What is the InChIKey of 5-(2-methoxyethyl)-2-(2-phenylethynyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
The InChIKey is YEGGTYXKNVWGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-21-12-11-19-10-9-14-16(17(19)20)22-15(18-14)8-7-13-5-3-2-4-6-13/h2-6H,9-12H2,1H3.
What are the key properties of 5-(2-methoxyethyl)-2-(2-phenylethynyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
5-(2-methoxyethyl)-2-(2-phenylethynyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one has a molecular weight of 312.39 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethyl)-2-(2-phenylethynyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one is sourced from PubChem (CID 53246141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).