5-[(6-ethoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-2-(methylamino)-1,3-thiazole-4-carboxamide

C20H19N7O2S — CID 89348118

About 5-[(6-ethoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-2-(methylamino)-1,3-thiazole-4-carboxamide

5-[(6-ethoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-2-(methylamino)-1,3-thiazole-4-carboxamide (PubChem CID 89348118) has the molecular formula C20H19N7O2S and a molecular weight of 421.49 g/mol. Its IUPAC name is 5-[(6-ethoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-2-(methylamino)-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-[(6-ethoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-2-(methylamino)-1,3-thiazole-4-carboxamide
• PubChem CID: 89348118
• Molecular Formula: C20H19N7O2S
• Molecular Weight: 421.49 g/mol
• Exact Mass: 421.13
• IUPAC Name: 5-[(6-ethoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-2-(methylamino)-1,3-thiazole-4-carboxamide
• SMILES: CCOc1ccc2nc(-c3cccnc3)nc(Nc3sc(NC)nc3C(N)=O)c2c1
• InChI: InChI=1S/C20H19N7O2S/c1-3-29-12-6-7-14-13(9-12)18(26-17(24-14)11-5-4-8-23-10-11)27-19-15(16(21)28)25-20(22-2)30-19/h4-10H,3H2,1-2H3,(H2,21,28)(H,22,25)(H,24,26,27)
• InChIKey: FWTFZTNVBGNUEQ-UHFFFAOYSA-N
• XLogP: 3.43
• TPSA: 127.94 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.49
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-[(6-ethoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-2-(methylamino)-1,3-thiazole-4-carboxamide?

The IUPAC name of 5-[(6-ethoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-2-(methylamino)-1,3-thiazole-4-carboxamide (CID 89348118) is 5-[(6-ethoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-2-(methylamino)-1,3-thiazole-4-carboxamide.

What is the SMILES notation for 5-[(6-ethoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-2-(methylamino)-1,3-thiazole-4-carboxamide?

The canonical SMILES for 5-[(6-ethoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-2-(methylamino)-1,3-thiazole-4-carboxamide is CCOc1ccc2nc(-c3cccnc3)nc(Nc3sc(NC)nc3C(N)=O)c2c1.

What is the InChIKey of 5-[(6-ethoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-2-(methylamino)-1,3-thiazole-4-carboxamide?

The InChIKey is FWTFZTNVBGNUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O2S/c1-3-29-12-6-7-14-13(9-12)18(26-17(24-14)11-5-4-8-23-10-11)27-19-15(16(21)28)25-20(22-2)30-19/h4-10H,3H2,1-2H3,(H2,21,28)(H,22,25)(H,24,26,27).

What are the key properties of 5-[(6-ethoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-2-(methylamino)-1,3-thiazole-4-carboxamide?

5-[(6-ethoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-2-(methylamino)-1,3-thiazole-4-carboxamide has a molecular weight of 421.49 g/mol, XLogP of 3.43, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(6-ethoxy-2-pyridin-3-ylquinazolin-4-yl)amino]-2-(methylamino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 89348118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).