N-(5-acetyl-2-methyl-3-pyridinyl)-2-[2-methanimidoyl-3-(methylamino)phenyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen

C22H22N6O2S — CID 164547566

About N-(5-acetyl-2-methyl-3-pyridinyl)-2-[2-methanimidoyl-3-(methylamino)phenyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen

N-(5-acetyl-2-methyl-3-pyridinyl)-2-[2-methanimidoyl-3-(methylamino)phenyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen (PubChem CID 164547566) has the molecular formula C22H22N6O2S and a molecular weight of 434.53 g/mol. Its IUPAC name is N-(5-acetyl-2-methyl-3-pyridinyl)-2-[2-methanimidoyl-3-(methylamino)phenyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: N-(5-acetyl-2-methyl-3-pyridinyl)-2-[2-methanimidoyl-3-(methylamino)phenyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen
• PubChem CID: 164547566
• Molecular Formula: C22H22N6O2S
• Molecular Weight: 434.53 g/mol
• Exact Mass: 434.15
• IUPAC Name: N-(5-acetyl-2-methyl-3-pyridinyl)-2-[2-methanimidoyl-3-(methylamino)phenyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen
• SMILES: [H]/N=C/c1c(NC)cccc1-c1cn2ncc(C(=O)Nc3cc(C(C)=O)cnc3C)c2s1.[H][H]
• InChI: InChI=1S/C22H20N6O2S.H2/c1-12-19(7-14(9-25-12)13(2)29)27-21(30)17-10-26-28-11-20(31-22(17)28)15-5-4-6-18(24-3)16(15)8-23;/h4-11,23-24H,1-3H3,(H,27,30);1H/b23-8+
• InChIKey: KIYTVNRDFYTDTC-XGSKYZIVSA-N
• XLogP: 4.51
• TPSA: 112.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.53
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-2-methyl-3-pyridinyl)-2-[2-methanimidoyl-3-(methylamino)phenyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen?

The IUPAC name of N-(5-acetyl-2-methyl-3-pyridinyl)-2-[2-methanimidoyl-3-(methylamino)phenyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen (CID 164547566) is N-(5-acetyl-2-methyl-3-pyridinyl)-2-[2-methanimidoyl-3-(methylamino)phenyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen.

What is the SMILES notation for N-(5-acetyl-2-methyl-3-pyridinyl)-2-[2-methanimidoyl-3-(methylamino)phenyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen?

The canonical SMILES for N-(5-acetyl-2-methyl-3-pyridinyl)-2-[2-methanimidoyl-3-(methylamino)phenyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen is [H]/N=C/c1c(NC)cccc1-c1cn2ncc(C(=O)Nc3cc(C(C)=O)cnc3C)c2s1.[H][H].

What is the InChIKey of N-(5-acetyl-2-methyl-3-pyridinyl)-2-[2-methanimidoyl-3-(methylamino)phenyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen?

The InChIKey is KIYTVNRDFYTDTC-XGSKYZIVSA-N. The full InChI is InChI=1S/C22H20N6O2S.H2/c1-12-19(7-14(9-25-12)13(2)29)27-21(30)17-10-26-28-11-20(31-22(17)28)15-5-4-6-18(24-3)16(15)8-23;/h4-11,23-24H,1-3H3,(H,27,30);1H/b23-8+;.

What are the key properties of N-(5-acetyl-2-methyl-3-pyridinyl)-2-[2-methanimidoyl-3-(methylamino)phenyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen?

N-(5-acetyl-2-methyl-3-pyridinyl)-2-[2-methanimidoyl-3-(methylamino)phenyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen has a molecular weight of 434.53 g/mol, XLogP of 4.51, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-acetyl-2-methyl-3-pyridinyl)-2-[2-methanimidoyl-3-(methylamino)phenyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide;molecular hydrogen is sourced from PubChem (CID 164547566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).