2-(2-ethylanilino)-5-oxo-N-(pyridin-2-ylmethyl)-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide

C24H20N6O2S — CID 20917974

About 2-(2-ethylanilino)-5-oxo-N-(pyridin-2-ylmethyl)-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide

2-(2-ethylanilino)-5-oxo-N-(pyridin-2-ylmethyl)-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide (PubChem CID 20917974) has the molecular formula C24H20N6O2S and a molecular weight of 456.53 g/mol. Its IUPAC name is 2-(2-ethylanilino)-5-oxo-N-(pyridin-2-ylmethyl)-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide.

Molecular Properties

• Compound Name: 2-(2-ethylanilino)-5-oxo-N-(pyridin-2-ylmethyl)-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
• PubChem CID: 20917974
• Molecular Formula: C24H20N6O2S
• Molecular Weight: 456.53 g/mol
• Exact Mass: 456.14
• IUPAC Name: 2-(2-ethylanilino)-5-oxo-N-(pyridin-2-ylmethyl)-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide
• SMILES: CCc1ccccc1Nc1nn2c(=O)c3ccc(C(=O)NCc4ccccn4)cc3nc2s1
• InChI: InChI=1S/C24H20N6O2S/c1-2-15-7-3-4-9-19(15)27-23-29-30-22(32)18-11-10-16(13-20(18)28-24(30)33-23)21(31)26-14-17-8-5-6-12-25-17/h3-13H,2,14H2,1H3,(H,26,31)(H,27,29)
• InChIKey: VILUDSYFMLGYLA-UHFFFAOYSA-N
• XLogP: 3.94
• TPSA: 101.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.53
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylanilino)-5-oxo-N-(pyridin-2-ylmethyl)-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide?

The IUPAC name of 2-(2-ethylanilino)-5-oxo-N-(pyridin-2-ylmethyl)-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide (CID 20917974) is 2-(2-ethylanilino)-5-oxo-N-(pyridin-2-ylmethyl)-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide.

What is the SMILES notation for 2-(2-ethylanilino)-5-oxo-N-(pyridin-2-ylmethyl)-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide?

The canonical SMILES for 2-(2-ethylanilino)-5-oxo-N-(pyridin-2-ylmethyl)-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide is CCc1ccccc1Nc1nn2c(=O)c3ccc(C(=O)NCc4ccccn4)cc3nc2s1.

What is the InChIKey of 2-(2-ethylanilino)-5-oxo-N-(pyridin-2-ylmethyl)-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide?

The InChIKey is VILUDSYFMLGYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6O2S/c1-2-15-7-3-4-9-19(15)27-23-29-30-22(32)18-11-10-16(13-20(18)28-24(30)33-23)21(31)26-14-17-8-5-6-12-25-17/h3-13H,2,14H2,1H3,(H,26,31)(H,27,29).

What are the key properties of 2-(2-ethylanilino)-5-oxo-N-(pyridin-2-ylmethyl)-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide?

2-(2-ethylanilino)-5-oxo-N-(pyridin-2-ylmethyl)-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide has a molecular weight of 456.53 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-ethylanilino)-5-oxo-N-(pyridin-2-ylmethyl)-[1,3,4]thiadiazolo[2,3-b]quinazoline-8-carboxamide is sourced from PubChem (CID 20917974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).