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

C15H12N2OS — CID 53246020

IUPAC5-methyl-2-(2-phenylethynyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESCN1CCc2nc(C#Cc3ccccc3)sc2C1=O
InChIInChI=1S/C15H12N2OS/c1-17-10-9-12-14(15(17)18)19-13(16-12)8-7-11-5-3-2-4-6-11/h2-6H,9-10H2,1H3
InChIKeyFAYBGSLVWIDPPP-UHFFFAOYSA-N
MW268.34 g/mol
LogP2.17
Rot. Bonds

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

5-methyl-2-(2-phenylethynyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one (PubChem CID 53246020) has the molecular formula C15H12N2OS and a molecular weight of 268.34 g/mol. Its IUPAC name is 5-methyl-2-(2-phenylethynyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one.

Molecular Properties

Compound Name5-methyl-2-(2-phenylethynyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
PubChem CID53246020
Molecular FormulaC15H12N2OS
Molecular Weight268.34 g/mol
Exact Mass268.07
IUPAC Name5-methyl-2-(2-phenylethynyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESCN1CCc2nc(C#Cc3ccccc3)sc2C1=O
InChIInChI=1S/C15H12N2OS/c1-17-10-9-12-14(15(17)18)19-13(16-12)8-7-11-5-3-2-4-6-11/h2-6H,9-10H2,1H3
InChIKeyFAYBGSLVWIDPPP-UHFFFAOYSA-N
XLogP2.17
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 52.17
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-methyl-2-(2-phenylethynyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
The IUPAC name of 5-methyl-2-(2-phenylethynyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one (CID 53246020) is 5-methyl-2-(2-phenylethynyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one.
What is the SMILES notation for 5-methyl-2-(2-phenylethynyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
The canonical SMILES for 5-methyl-2-(2-phenylethynyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one is CN1CCc2nc(C#Cc3ccccc3)sc2C1=O.
What is the InChIKey of 5-methyl-2-(2-phenylethynyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
The InChIKey is FAYBGSLVWIDPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2OS/c1-17-10-9-12-14(15(17)18)19-13(16-12)8-7-11-5-3-2-4-6-11/h2-6H,9-10H2,1H3.
What are the key properties of 5-methyl-2-(2-phenylethynyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
5-methyl-2-(2-phenylethynyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one has a molecular weight of 268.34 g/mol, XLogP of 2.17, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(2-phenylethynyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one is sourced from PubChem (CID 53246020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).