4-methyl-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]-2-phenyl-1,3-thiazole-5-carboxamide

C25H24N6O2S — CID 122354948

About 4-methyl-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]-2-phenyl-1,3-thiazole-5-carboxamide

4-methyl-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]-2-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 122354948) has the molecular formula C25H24N6O2S and a molecular weight of 472.57 g/mol. Its IUPAC name is 4-methyl-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]-2-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 4-methyl-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]-2-phenyl-1,3-thiazole-5-carboxamide
• PubChem CID: 122354948
• Molecular Formula: C25H24N6O2S
• Molecular Weight: 472.57 g/mol
• Exact Mass: 472.17
• IUPAC Name: 4-methyl-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]-2-phenyl-1,3-thiazole-5-carboxamide
• SMILES: Cc1nc(-c2ccccc2)sc1C(=O)Nc1ccc(Nc2cc(N3CCOCC3)cnn2)cc1
• InChI: InChI=1S/C25H24N6O2S/c1-17-23(34-25(27-17)18-5-3-2-4-6-18)24(32)29-20-9-7-19(8-10-20)28-22-15-21(16-26-30-22)31-11-13-33-14-12-31/h2-10,15-16H,11-14H2,1H3,(H,28,30)(H,29,32)
• InChIKey: ANHZXMJPRCDQKA-UHFFFAOYSA-N
• XLogP: 4.74
• TPSA: 92.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.57
LogP ≤ 5	4.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]-2-phenyl-1,3-thiazole-5-carboxamide?

The IUPAC name of 4-methyl-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]-2-phenyl-1,3-thiazole-5-carboxamide (CID 122354948) is 4-methyl-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]-2-phenyl-1,3-thiazole-5-carboxamide.

What is the SMILES notation for 4-methyl-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]-2-phenyl-1,3-thiazole-5-carboxamide?

The canonical SMILES for 4-methyl-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]-2-phenyl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccccc2)sc1C(=O)Nc1ccc(Nc2cc(N3CCOCC3)cnn2)cc1.

What is the InChIKey of 4-methyl-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]-2-phenyl-1,3-thiazole-5-carboxamide?

The InChIKey is ANHZXMJPRCDQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O2S/c1-17-23(34-25(27-17)18-5-3-2-4-6-18)24(32)29-20-9-7-19(8-10-20)28-22-15-21(16-26-30-22)31-11-13-33-14-12-31/h2-10,15-16H,11-14H2,1H3,(H,28,30)(H,29,32).

What are the key properties of 4-methyl-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]-2-phenyl-1,3-thiazole-5-carboxamide?

4-methyl-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]-2-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 472.57 g/mol, XLogP of 4.74, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]-2-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 122354948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).