4-methyl-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-1,3-thiazole-5-carboxamide

C17H19N7OS — CID 122326956

About 4-methyl-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-1,3-thiazole-5-carboxamide

4-methyl-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 122326956) has the molecular formula C17H19N7OS and a molecular weight of 369.45 g/mol. Its IUPAC name is 4-methyl-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 4-methyl-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-1,3-thiazole-5-carboxamide
• PubChem CID: 122326956
• Molecular Formula: C17H19N7OS
• Molecular Weight: 369.45 g/mol
• Exact Mass: 369.14
• IUPAC Name: 4-methyl-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-1,3-thiazole-5-carboxamide
• SMILES: Cc1ccc(Nc2ccc(NCCNC(=O)c3scnc3C)nn2)nc1
• InChI: InChI=1S/C17H19N7OS/c1-11-3-4-13(20-9-11)22-15-6-5-14(23-24-15)18-7-8-19-17(25)16-12(2)21-10-26-16/h3-6,9-10H,7-8H2,1-2H3,(H,18,23)(H,19,25)(H,20,22,24)
• InChIKey: TZWQVHDPLWHOAV-UHFFFAOYSA-N
• XLogP: 2.53
• TPSA: 104.72 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.45
LogP ≤ 5	2.53
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-1,3-thiazole-5-carboxamide?

The IUPAC name of 4-methyl-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-1,3-thiazole-5-carboxamide (CID 122326956) is 4-methyl-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-1,3-thiazole-5-carboxamide.

What is the SMILES notation for 4-methyl-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-1,3-thiazole-5-carboxamide?

The canonical SMILES for 4-methyl-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-1,3-thiazole-5-carboxamide is Cc1ccc(Nc2ccc(NCCNC(=O)c3scnc3C)nn2)nc1.

What is the InChIKey of 4-methyl-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-1,3-thiazole-5-carboxamide?

The InChIKey is TZWQVHDPLWHOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7OS/c1-11-3-4-13(20-9-11)22-15-6-5-14(23-24-15)18-7-8-19-17(25)16-12(2)21-10-26-16/h3-6,9-10H,7-8H2,1-2H3,(H,18,23)(H,19,25)(H,20,22,24).

What are the key properties of 4-methyl-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-1,3-thiazole-5-carboxamide?

4-methyl-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 369.45 g/mol, XLogP of 2.53, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 122326956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).