2-(3-methylphenyl)-7-(2-pyridin-3-ylethenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

C19H14N4OS — CID 54203423

IUPAC2-(3-methylphenyl)-7-(2-pyridin-3-ylethenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cccc(-c2nn3c(=O)cc(C=Cc4cccnc4)nc3s2)c1
InChIInChI=1S/C19H14N4OS/c1-13-4-2-6-15(10-13)18-22-23-17(24)11-16(21-19(23)25-18)8-7-14-5-3-9-20-12-14/h2-12H,1H3
InChIKeyPQVFVYJMEBWEJY-UHFFFAOYSA-N
MW346.42 g/mol
LogP3.69
Rot. Bonds3

About 2-(3-methylphenyl)-7-(2-pyridin-3-ylethenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

2-(3-methylphenyl)-7-(2-pyridin-3-ylethenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 54203423) has the molecular formula C19H14N4OS and a molecular weight of 346.42 g/mol. Its IUPAC name is 2-(3-methylphenyl)-7-(2-pyridin-3-ylethenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-(3-methylphenyl)-7-(2-pyridin-3-ylethenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
PubChem CID54203423
Molecular FormulaC19H14N4OS
Molecular Weight346.42 g/mol
Exact Mass346.09
IUPAC Name2-(3-methylphenyl)-7-(2-pyridin-3-ylethenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cccc(-c2nn3c(=O)cc(C=Cc4cccnc4)nc3s2)c1
InChIInChI=1S/C19H14N4OS/c1-13-4-2-6-15(10-13)18-22-23-17(24)11-16(21-19(23)25-18)8-7-14-5-3-9-20-12-14/h2-12H,1H3
InChIKeyPQVFVYJMEBWEJY-UHFFFAOYSA-N
XLogP3.69
TPSA60.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(3-methylphenyl)-7-(2-pyridin-3-ylethenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one with MolForge

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

Launch Full Analysis

Related Compounds

2-(4-methoxyphenyl)-7-[(E)-2-pyridin-3-ylethenyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 13188235
2-(2-aminophenyl)-7-(2-pyridin-3-ylethenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 54271130
2-(4-nitrophenyl)-7-[(E)-2-pyridin-3-ylethenyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 13188238
[2-(3-methylphenyl)-6-pyridin-3-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 94961602
3-(3-methoxyphenyl)-7-[(E)-2-pyridin-3-ylethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 13105911
1-methyl-5-[(E)-2-pyridin-3-ylethenyl]pyrazolo[1,5-a]pyrimidin-7-one
CID 13232092
N-[4-[5-oxo-7-[(E)-2-pyridin-3-ylethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-3-yl]phenyl]acetamide
CID 13105946
7-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(3-methylphenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 46321109
N-[[2-(3-methylphenyl)-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl]thiophene-2-carboxamide
CID 50777900
1-(3-aminophenyl)-2-methyl-5-(2-pyridin-3-ylethenyl)pyrazolo[1,5-a]pyrimidin-7-one
CID 54053165
7-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-(3-methylphenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 50778007
7-[[4-(2-chlorobenzoyl)piperazin-1-yl]methyl]-2-(3-methylphenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 50803017

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-7-(2-pyridin-3-ylethenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 2-(3-methylphenyl)-7-(2-pyridin-3-ylethenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 54203423) is 2-(3-methylphenyl)-7-(2-pyridin-3-ylethenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 2-(3-methylphenyl)-7-(2-pyridin-3-ylethenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 2-(3-methylphenyl)-7-(2-pyridin-3-ylethenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is Cc1cccc(-c2nn3c(=O)cc(C=Cc4cccnc4)nc3s2)c1.
What is the InChIKey of 2-(3-methylphenyl)-7-(2-pyridin-3-ylethenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is PQVFVYJMEBWEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4OS/c1-13-4-2-6-15(10-13)18-22-23-17(24)11-16(21-19(23)25-18)8-7-14-5-3-9-20-12-14/h2-12H,1H3.
What are the key properties of 2-(3-methylphenyl)-7-(2-pyridin-3-ylethenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
2-(3-methylphenyl)-7-(2-pyridin-3-ylethenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 346.42 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-7-(2-pyridin-3-ylethenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 54203423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).