6-(2-hydrazinylethylamino)-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide

C25H22N8OS — CID 143803020

About 6-(2-hydrazinylethylamino)-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide

6-(2-hydrazinylethylamino)-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide (PubChem CID 143803020) has the molecular formula C25H22N8OS and a molecular weight of 482.57 g/mol. Its IUPAC name is 6-(2-hydrazinylethylamino)-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide.

Molecular Properties

• Compound Name: 6-(2-hydrazinylethylamino)-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide
• PubChem CID: 143803020
• Molecular Formula: C25H22N8OS
• Molecular Weight: 482.57 g/mol
• Exact Mass: 482.16
• IUPAC Name: 6-(2-hydrazinylethylamino)-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide
• SMILES: NNCCNc1cc(C(=O)Nc2ccccc2-c2nc3cccnc3s2)nc(-c2ccccc2)n1
• InChI: InChI=1S/C25H22N8OS/c26-29-14-13-27-21-15-20(30-22(33-21)16-7-2-1-3-8-16)23(34)31-18-10-5-4-9-17(18)24-32-19-11-6-12-28-25(19)35-24/h1-12,15,29H,13-14,26H2,(H,31,34)(H,27,30,33)
• InChIKey: XFYYJUIGKWSYDD-UHFFFAOYSA-N
• XLogP: 3.94
• TPSA: 130.74 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.57
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(2-hydrazinylethylamino)-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide?

The IUPAC name of 6-(2-hydrazinylethylamino)-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide (CID 143803020) is 6-(2-hydrazinylethylamino)-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide.

What is the SMILES notation for 6-(2-hydrazinylethylamino)-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide?

The canonical SMILES for 6-(2-hydrazinylethylamino)-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide is NNCCNc1cc(C(=O)Nc2ccccc2-c2nc3cccnc3s2)nc(-c2ccccc2)n1.

What is the InChIKey of 6-(2-hydrazinylethylamino)-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide?

The InChIKey is XFYYJUIGKWSYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N8OS/c26-29-14-13-27-21-15-20(30-22(33-21)16-7-2-1-3-8-16)23(34)31-18-10-5-4-9-17(18)24-32-19-11-6-12-28-25(19)35-24/h1-12,15,29H,13-14,26H2,(H,31,34)(H,27,30,33).

What are the key properties of 6-(2-hydrazinylethylamino)-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide?

6-(2-hydrazinylethylamino)-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide has a molecular weight of 482.57 g/mol, XLogP of 3.94, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-hydrazinylethylamino)-2-phenyl-N-[2-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 143803020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).