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

C13H9N3OS — CID 71712441

IUPAC2-(2-pyridin-3-ylethynyl)-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESO=C1NCCc2nc(C#Cc3cccnc3)sc21
InChIInChI=1S/C13H9N3OS/c17-13-12-10(5-7-15-13)16-11(18-12)4-3-9-2-1-6-14-8-9/h1-2,6,8H,5,7H2,(H,15,17)
InChIKeyLAIVMHBDWCQYSI-UHFFFAOYSA-N
MW255.30 g/mol
LogP1.22
Rot. Bonds

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

2-(2-pyridin-3-ylethynyl)-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one (PubChem CID 71712441) has the molecular formula C13H9N3OS and a molecular weight of 255.30 g/mol. Its IUPAC name is 2-(2-pyridin-3-ylethynyl)-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one.

Molecular Properties

Compound Name2-(2-pyridin-3-ylethynyl)-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one
PubChem CID71712441
Molecular FormulaC13H9N3OS
Molecular Weight255.30 g/mol
Exact Mass255.05
IUPAC Name2-(2-pyridin-3-ylethynyl)-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESO=C1NCCc2nc(C#Cc3cccnc3)sc21
InChIInChI=1S/C13H9N3OS/c17-13-12-10(5-7-15-13)16-11(18-12)4-3-9-2-1-6-14-8-9/h1-2,6,8H,5,7H2,(H,15,17)
InChIKeyLAIVMHBDWCQYSI-UHFFFAOYSA-N
XLogP1.22
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 51.22
H-Bond Donors ≤ 51
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 2-(2-pyridin-3-ylethynyl)-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one?
The IUPAC name of 2-(2-pyridin-3-ylethynyl)-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one (CID 71712441) is 2-(2-pyridin-3-ylethynyl)-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one.
What is the SMILES notation for 2-(2-pyridin-3-ylethynyl)-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one?
The canonical SMILES for 2-(2-pyridin-3-ylethynyl)-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one is O=C1NCCc2nc(C#Cc3cccnc3)sc21.
What is the InChIKey of 2-(2-pyridin-3-ylethynyl)-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one?
The InChIKey is LAIVMHBDWCQYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3OS/c17-13-12-10(5-7-15-13)16-11(18-12)4-3-9-2-1-6-14-8-9/h1-2,6,8H,5,7H2,(H,15,17).
What are the key properties of 2-(2-pyridin-3-ylethynyl)-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one?
2-(2-pyridin-3-ylethynyl)-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one has a molecular weight of 255.30 g/mol, XLogP of 1.22, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyridin-3-ylethynyl)-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one is sourced from PubChem (CID 71712441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).