2-tert-butyl-N-[[4-(6-chloropyridazin-4-yl)-2-methylphenyl]methyl]-1,3-thiazole-5-carboxamide;2-tert-butyl-N-[[2-methyl-4-[6-[(1-methylpyrazol-4-yl)amino]pyridazin-4-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide

C44H48ClN11O2S2 — CID 167677158

About 2-tert-butyl-N-[[4-(6-chloropyridazin-4-yl)-2-methylphenyl]methyl]-1,3-thiazole-5-carboxamide;2-tert-butyl-N-[[2-methyl-4-[6-[(1-methylpyrazol-4-yl)amino]pyridazin-4-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide

2-tert-butyl-N-[[4-(6-chloropyridazin-4-yl)-2-methylphenyl]methyl]-1,3-thiazole-5-carboxamide;2-tert-butyl-N-[[2-methyl-4-[6-[(1-methylpyrazol-4-yl)amino]pyridazin-4-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide (PubChem CID 167677158) has the molecular formula C44H48ClN11O2S2 and a molecular weight of 862.53 g/mol. Its IUPAC name is 2-tert-butyl-N-[[4-(6-chloropyridazin-4-yl)-2-methylphenyl]methyl]-1,3-thiazole-5-carboxamide;2-tert-butyl-N-[[2-methyl-4-[6-[(1-methylpyrazol-4-yl)amino]pyridazin-4-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-tert-butyl-N-[[4-(6-chloropyridazin-4-yl)-2-methylphenyl]methyl]-1,3-thiazole-5-carboxamide;2-tert-butyl-N-[[2-methyl-4-[6-[(1-methylpyrazol-4-yl)amino]pyridazin-4-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide
• PubChem CID: 167677158
• Molecular Formula: C44H48ClN11O2S2
• Molecular Weight: 862.53 g/mol
• Exact Mass: 861.31
• IUPAC Name: 2-tert-butyl-N-[[4-(6-chloropyridazin-4-yl)-2-methylphenyl]methyl]-1,3-thiazole-5-carboxamide;2-tert-butyl-N-[[2-methyl-4-[6-[(1-methylpyrazol-4-yl)amino]pyridazin-4-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide
• SMILES: Cc1cc(-c2cnnc(Cl)c2)ccc1CNC(=O)c1cnc(C(C)(C)C)s1.Cc1cc(-c2cnnc(Nc3cnn(C)c3)c2)ccc1CNC(=O)c1cnc(C(C)(C)C)s1
• InChI: InChI=1S/C24H27N7OS.C20H21ClN4OS/c1-15-8-16(18-9-21(30-27-11-18)29-19-12-28-31(5)14-19)6-7-17(15)10-25-22(32)20-13-26-23(33-20)24(2,3)4;1-12-7-13(15-8-17(21)25-24-10-15)5-6-14(12)9-22-18(26)16-11-23-19(27-16)20(2,3)4/h6-9,11-14H,10H2,1-5H3,(H,25,32)(H,29,30);5-8,10-11H,9H2,1-4H3,(H,22,26)
• InChIKey: UZEAVEJYNTVQIL-UHFFFAOYSA-N
• XLogP: 9.40
• TPSA: 165.39 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 10
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	862.53
LogP ≤ 5	9.40
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[[4-(6-chloropyridazin-4-yl)-2-methylphenyl]methyl]-1,3-thiazole-5-carboxamide;2-tert-butyl-N-[[2-methyl-4-[6-[(1-methylpyrazol-4-yl)amino]pyridazin-4-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide?

The IUPAC name of 2-tert-butyl-N-[[4-(6-chloropyridazin-4-yl)-2-methylphenyl]methyl]-1,3-thiazole-5-carboxamide;2-tert-butyl-N-[[2-methyl-4-[6-[(1-methylpyrazol-4-yl)amino]pyridazin-4-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide (CID 167677158) is 2-tert-butyl-N-[[4-(6-chloropyridazin-4-yl)-2-methylphenyl]methyl]-1,3-thiazole-5-carboxamide;2-tert-butyl-N-[[2-methyl-4-[6-[(1-methylpyrazol-4-yl)amino]pyridazin-4-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide.

What is the SMILES notation for 2-tert-butyl-N-[[4-(6-chloropyridazin-4-yl)-2-methylphenyl]methyl]-1,3-thiazole-5-carboxamide;2-tert-butyl-N-[[2-methyl-4-[6-[(1-methylpyrazol-4-yl)amino]pyridazin-4-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide?

The canonical SMILES for 2-tert-butyl-N-[[4-(6-chloropyridazin-4-yl)-2-methylphenyl]methyl]-1,3-thiazole-5-carboxamide;2-tert-butyl-N-[[2-methyl-4-[6-[(1-methylpyrazol-4-yl)amino]pyridazin-4-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide is Cc1cc(-c2cnnc(Cl)c2)ccc1CNC(=O)c1cnc(C(C)(C)C)s1.Cc1cc(-c2cnnc(Nc3cnn(C)c3)c2)ccc1CNC(=O)c1cnc(C(C)(C)C)s1.

What is the InChIKey of 2-tert-butyl-N-[[4-(6-chloropyridazin-4-yl)-2-methylphenyl]methyl]-1,3-thiazole-5-carboxamide;2-tert-butyl-N-[[2-methyl-4-[6-[(1-methylpyrazol-4-yl)amino]pyridazin-4-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide?

The InChIKey is UZEAVEJYNTVQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7OS.C20H21ClN4OS/c1-15-8-16(18-9-21(30-27-11-18)29-19-12-28-31(5)14-19)6-7-17(15)10-25-22(32)20-13-26-23(33-20)24(2,3)4;1-12-7-13(15-8-17(21)25-24-10-15)5-6-14(12)9-22-18(26)16-11-23-19(27-16)20(2,3)4/h6-9,11-14H,10H2,1-5H3,(H,25,32)(H,29,30);5-8,10-11H,9H2,1-4H3,(H,22,26).

What are the key properties of 2-tert-butyl-N-[[4-(6-chloropyridazin-4-yl)-2-methylphenyl]methyl]-1,3-thiazole-5-carboxamide;2-tert-butyl-N-[[2-methyl-4-[6-[(1-methylpyrazol-4-yl)amino]pyridazin-4-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide?

2-tert-butyl-N-[[4-(6-chloropyridazin-4-yl)-2-methylphenyl]methyl]-1,3-thiazole-5-carboxamide;2-tert-butyl-N-[[2-methyl-4-[6-[(1-methylpyrazol-4-yl)amino]pyridazin-4-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 862.53 g/mol, XLogP of 9.40, 10 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-N-[[4-(6-chloropyridazin-4-yl)-2-methylphenyl]methyl]-1,3-thiazole-5-carboxamide;2-tert-butyl-N-[[2-methyl-4-[6-[(1-methylpyrazol-4-yl)amino]pyridazin-4-yl]phenyl]methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 167677158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).