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

C15H12N2O2S — CID 71712439

IUPAC2-[2-(2-methoxyphenyl)ethynyl]-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESCOc1ccccc1C#Cc1nc2c(s1)C(=O)NCC2
InChIInChI=1S/C15H12N2O2S/c1-19-12-5-3-2-4-10(12)6-7-13-17-11-8-9-16-15(18)14(11)20-13/h2-5H,8-9H2,1H3,(H,16,18)
InChIKeySDVOZACPIDOGAV-UHFFFAOYSA-N
MW284.34 g/mol
LogP1.84
Rot. Bonds1

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

2-[2-(2-methoxyphenyl)ethynyl]-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one (PubChem CID 71712439) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is 2-[2-(2-methoxyphenyl)ethynyl]-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one.

Molecular Properties

Compound Name2-[2-(2-methoxyphenyl)ethynyl]-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one
PubChem CID71712439
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC Name2-[2-(2-methoxyphenyl)ethynyl]-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESCOc1ccccc1C#Cc1nc2c(s1)C(=O)NCC2
InChIInChI=1S/C15H12N2O2S/c1-19-12-5-3-2-4-10(12)6-7-13-17-11-8-9-16-15(18)14(11)20-13/h2-5H,8-9H2,1H3,(H,16,18)
InChIKeySDVOZACPIDOGAV-UHFFFAOYSA-N
XLogP1.84
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 51.84
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-(2-methoxyphenyl)ethynyl]-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one?
The IUPAC name of 2-[2-(2-methoxyphenyl)ethynyl]-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one (CID 71712439) is 2-[2-(2-methoxyphenyl)ethynyl]-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one.
What is the SMILES notation for 2-[2-(2-methoxyphenyl)ethynyl]-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one?
The canonical SMILES for 2-[2-(2-methoxyphenyl)ethynyl]-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one is COc1ccccc1C#Cc1nc2c(s1)C(=O)NCC2.
What is the InChIKey of 2-[2-(2-methoxyphenyl)ethynyl]-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one?
The InChIKey is SDVOZACPIDOGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S/c1-19-12-5-3-2-4-10(12)6-7-13-17-11-8-9-16-15(18)14(11)20-13/h2-5H,8-9H2,1H3,(H,16,18).
What are the key properties of 2-[2-(2-methoxyphenyl)ethynyl]-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one?
2-[2-(2-methoxyphenyl)ethynyl]-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one has a molecular weight of 284.34 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyphenyl)ethynyl]-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridin-4-one is sourced from PubChem (CID 71712439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).