N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-4-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine

C24H16F3N5O2S — CID 89348047

About N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-4-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine

N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-4-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine (PubChem CID 89348047) has the molecular formula C24H16F3N5O2S and a molecular weight of 495.49 g/mol. Its IUPAC name is N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-4-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-4-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine
• PubChem CID: 89348047
• Molecular Formula: C24H16F3N5O2S
• Molecular Weight: 495.49 g/mol
• Exact Mass: 495.10
• IUPAC Name: N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-4-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine
• SMILES: COc1ccc2nc(-c3cccnc3)nc(Nc3nc(-c4cccc(OC(F)(F)F)c4)cs3)c2c1
• InChI: InChI=1S/C24H16F3N5O2S/c1-33-16-7-8-19-18(11-16)22(31-21(29-19)15-5-3-9-28-12-15)32-23-30-20(13-35-23)14-4-2-6-17(10-14)34-24(25,26)27/h2-13H,1H3,(H,29,30,31,32)
• InChIKey: ZHXSYQUAFUWHEZ-UHFFFAOYSA-N
• XLogP: 6.47
• TPSA: 82.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	495.49
LogP ≤ 5	6.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-4-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine?

The IUPAC name of N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-4-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine (CID 89348047) is N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-4-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine.

What is the SMILES notation for N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-4-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine?

The canonical SMILES for N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-4-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine is COc1ccc2nc(-c3cccnc3)nc(Nc3nc(-c4cccc(OC(F)(F)F)c4)cs3)c2c1.

What is the InChIKey of N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-4-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine?

The InChIKey is ZHXSYQUAFUWHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F3N5O2S/c1-33-16-7-8-19-18(11-16)22(31-21(29-19)15-5-3-9-28-12-15)32-23-30-20(13-35-23)14-4-2-6-17(10-14)34-24(25,26)27/h2-13H,1H3,(H,29,30,31,32).

What are the key properties of N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-4-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine?

N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-4-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine has a molecular weight of 495.49 g/mol, XLogP of 6.47, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-4-[3-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 89348047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).