1,2-bis(4-chlorophenyl)-1-(6-pyridin-2-ylpyrazin-2-yl)-2-[6-(1,3-thiazol-2-yl)pyrazin-2-yl]hydrazine

C28H18Cl2N8S — CID 91094609

About 1,2-bis(4-chlorophenyl)-1-(6-pyridin-2-ylpyrazin-2-yl)-2-[6-(1,3-thiazol-2-yl)pyrazin-2-yl]hydrazine

1,2-bis(4-chlorophenyl)-1-(6-pyridin-2-ylpyrazin-2-yl)-2-[6-(1,3-thiazol-2-yl)pyrazin-2-yl]hydrazine (PubChem CID 91094609) has the molecular formula C28H18Cl2N8S and a molecular weight of 569.48 g/mol. Its IUPAC name is 1,2-bis(4-chlorophenyl)-1-(6-pyridin-2-ylpyrazin-2-yl)-2-[6-(1,3-thiazol-2-yl)pyrazin-2-yl]hydrazine.

Molecular Properties

• Compound Name: 1,2-bis(4-chlorophenyl)-1-(6-pyridin-2-ylpyrazin-2-yl)-2-[6-(1,3-thiazol-2-yl)pyrazin-2-yl]hydrazine
• PubChem CID: 91094609
• Molecular Formula: C28H18Cl2N8S
• Molecular Weight: 569.48 g/mol
• Exact Mass: 568.08
• IUPAC Name: 1,2-bis(4-chlorophenyl)-1-(6-pyridin-2-ylpyrazin-2-yl)-2-[6-(1,3-thiazol-2-yl)pyrazin-2-yl]hydrazine
• SMILES: Clc1ccc(N(c2cncc(-c3ccccn3)n2)N(c2ccc(Cl)cc2)c2cncc(-c3nccs3)n2)cc1
• InChI: InChI=1S/C28H18Cl2N8S/c29-19-4-8-21(9-5-19)37(26-17-31-15-24(35-26)23-3-1-2-12-33-23)38(22-10-6-20(30)7-11-22)27-18-32-16-25(36-27)28-34-13-14-39-28/h1-18H
• InChIKey: KQMJPKXIZIZRDP-UHFFFAOYSA-N
• XLogP: 7.65
• TPSA: 83.82 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	569.48
LogP ≤ 5	7.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(4-chlorophenyl)-1-(6-pyridin-2-ylpyrazin-2-yl)-2-[6-(1,3-thiazol-2-yl)pyrazin-2-yl]hydrazine?

The IUPAC name of 1,2-bis(4-chlorophenyl)-1-(6-pyridin-2-ylpyrazin-2-yl)-2-[6-(1,3-thiazol-2-yl)pyrazin-2-yl]hydrazine (CID 91094609) is 1,2-bis(4-chlorophenyl)-1-(6-pyridin-2-ylpyrazin-2-yl)-2-[6-(1,3-thiazol-2-yl)pyrazin-2-yl]hydrazine.

What is the SMILES notation for 1,2-bis(4-chlorophenyl)-1-(6-pyridin-2-ylpyrazin-2-yl)-2-[6-(1,3-thiazol-2-yl)pyrazin-2-yl]hydrazine?

The canonical SMILES for 1,2-bis(4-chlorophenyl)-1-(6-pyridin-2-ylpyrazin-2-yl)-2-[6-(1,3-thiazol-2-yl)pyrazin-2-yl]hydrazine is Clc1ccc(N(c2cncc(-c3ccccn3)n2)N(c2ccc(Cl)cc2)c2cncc(-c3nccs3)n2)cc1.

What is the InChIKey of 1,2-bis(4-chlorophenyl)-1-(6-pyridin-2-ylpyrazin-2-yl)-2-[6-(1,3-thiazol-2-yl)pyrazin-2-yl]hydrazine?

The InChIKey is KQMJPKXIZIZRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18Cl2N8S/c29-19-4-8-21(9-5-19)37(26-17-31-15-24(35-26)23-3-1-2-12-33-23)38(22-10-6-20(30)7-11-22)27-18-32-16-25(36-27)28-34-13-14-39-28/h1-18H.

What are the key properties of 1,2-bis(4-chlorophenyl)-1-(6-pyridin-2-ylpyrazin-2-yl)-2-[6-(1,3-thiazol-2-yl)pyrazin-2-yl]hydrazine?

1,2-bis(4-chlorophenyl)-1-(6-pyridin-2-ylpyrazin-2-yl)-2-[6-(1,3-thiazol-2-yl)pyrazin-2-yl]hydrazine has a molecular weight of 569.48 g/mol, XLogP of 7.65, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2-bis(4-chlorophenyl)-1-(6-pyridin-2-ylpyrazin-2-yl)-2-[6-(1,3-thiazol-2-yl)pyrazin-2-yl]hydrazine is sourced from PubChem (CID 91094609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).