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

C24H17N5S — CID 108779736

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

6-phenyl-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]pyridazin-3-amine (PubChem CID 108779736) has the molecular formula C24H17N5S and a molecular weight of 407.50 g/mol. Its IUPAC name is 6-phenyl-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]pyridazin-3-amine.

Molecular Properties

• Compound Name: 6-phenyl-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]pyridazin-3-amine
• PubChem CID: 108779736
• Molecular Formula: C24H17N5S
• Molecular Weight: 407.50 g/mol
• Exact Mass: 407.12
• IUPAC Name: 6-phenyl-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]pyridazin-3-amine
• SMILES: c1ccc(-c2ccc(Nc3cccc(-c4csc(-c5ccccn5)n4)c3)nn2)cc1
• InChI: InChI=1S/C24H17N5S/c1-2-7-17(8-3-1)20-12-13-23(29-28-20)26-19-10-6-9-18(15-19)22-16-30-24(27-22)21-11-4-5-14-25-21/h1-16H,(H,26,29)
• InChIKey: XHTGEHYBZJTXJG-UHFFFAOYSA-N
• XLogP: 6.07
• TPSA: 63.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	407.50
LogP ≤ 5	6.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 6-phenyl-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]pyridazin-3-amine (CID 108779736) is 6-phenyl-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]pyridazin-3-amine.

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

The canonical SMILES for 6-phenyl-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]pyridazin-3-amine is c1ccc(-c2ccc(Nc3cccc(-c4csc(-c5ccccn5)n4)c3)nn2)cc1.

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

The InChIKey is XHTGEHYBZJTXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N5S/c1-2-7-17(8-3-1)20-12-13-23(29-28-20)26-19-10-6-9-18(15-19)22-16-30-24(27-22)21-11-4-5-14-25-21/h1-16H,(H,26,29).

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

6-phenyl-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]pyridazin-3-amine has a molecular weight of 407.50 g/mol, XLogP of 6.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-phenyl-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]pyridazin-3-amine is sourced from PubChem (CID 108779736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).