4-(4-fluorophenyl)-N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-1,3-thiazol-2-amine

C23H16FN5OS — CID 89347866

About 4-(4-fluorophenyl)-N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-1,3-thiazol-2-amine

4-(4-fluorophenyl)-N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-1,3-thiazol-2-amine (PubChem CID 89347866) has the molecular formula C23H16FN5OS and a molecular weight of 429.48 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: 4-(4-fluorophenyl)-N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-1,3-thiazol-2-amine
• PubChem CID: 89347866
• Molecular Formula: C23H16FN5OS
• Molecular Weight: 429.48 g/mol
• Exact Mass: 429.11
• IUPAC Name: 4-(4-fluorophenyl)-N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-1,3-thiazol-2-amine
• SMILES: COc1ccc2nc(-c3cccnc3)nc(Nc3nc(-c4ccc(F)cc4)cs3)c2c1
• InChI: InChI=1S/C23H16FN5OS/c1-30-17-8-9-19-18(11-17)22(28-21(26-19)15-3-2-10-25-12-15)29-23-27-20(13-31-23)14-4-6-16(24)7-5-14/h2-13H,1H3,(H,26,27,28,29)
• InChIKey: YZBUTENOBOVWOF-UHFFFAOYSA-N
• XLogP: 5.71
• TPSA: 72.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	429.48
LogP ≤ 5	5.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 4-(4-fluorophenyl)-N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-1,3-thiazol-2-amine (CID 89347866) is 4-(4-fluorophenyl)-N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-1,3-thiazol-2-amine.

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

The canonical SMILES for 4-(4-fluorophenyl)-N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-1,3-thiazol-2-amine is COc1ccc2nc(-c3cccnc3)nc(Nc3nc(-c4ccc(F)cc4)cs3)c2c1.

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

The InChIKey is YZBUTENOBOVWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FN5OS/c1-30-17-8-9-19-18(11-17)22(28-21(26-19)15-3-2-10-25-12-15)29-23-27-20(13-31-23)14-4-6-16(24)7-5-14/h2-13H,1H3,(H,26,27,28,29).

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

4-(4-fluorophenyl)-N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-1,3-thiazol-2-amine has a molecular weight of 429.48 g/mol, XLogP of 5.71, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-fluorophenyl)-N-(6-methoxy-2-pyridin-3-ylquinazolin-4-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 89347866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).