1-(4-chlorophenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-6-methyl-4-oxopyridazine-3-carboxamide

C22H17ClN4O3S — CID 27668806

About 1-(4-chlorophenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-6-methyl-4-oxopyridazine-3-carboxamide

1-(4-chlorophenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-6-methyl-4-oxopyridazine-3-carboxamide (PubChem CID 27668806) has the molecular formula C22H17ClN4O3S and a molecular weight of 452.92 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-6-methyl-4-oxopyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(4-chlorophenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-6-methyl-4-oxopyridazine-3-carboxamide
• PubChem CID: 27668806
• Molecular Formula: C22H17ClN4O3S
• Molecular Weight: 452.92 g/mol
• Exact Mass: 452.07
• IUPAC Name: 1-(4-chlorophenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-6-methyl-4-oxopyridazine-3-carboxamide
• SMILES: COc1ccc(-c2csc(NC(=O)c3nn(-c4ccc(Cl)cc4)c(C)cc3=O)n2)cc1
• InChI: InChI=1S/C22H17ClN4O3S/c1-13-11-19(28)20(26-27(13)16-7-5-15(23)6-8-16)21(29)25-22-24-18(12-31-22)14-3-9-17(30-2)10-4-14/h3-12H,1-2H3,(H,24,25,29)
• InChIKey: HXIHJOMMABEVQU-UHFFFAOYSA-N
• XLogP: 4.58
• TPSA: 86.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.92
LogP ≤ 5	4.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-6-methyl-4-oxopyridazine-3-carboxamide?

The IUPAC name of 1-(4-chlorophenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-6-methyl-4-oxopyridazine-3-carboxamide (CID 27668806) is 1-(4-chlorophenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-6-methyl-4-oxopyridazine-3-carboxamide.

What is the SMILES notation for 1-(4-chlorophenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-6-methyl-4-oxopyridazine-3-carboxamide?

The canonical SMILES for 1-(4-chlorophenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-6-methyl-4-oxopyridazine-3-carboxamide is COc1ccc(-c2csc(NC(=O)c3nn(-c4ccc(Cl)cc4)c(C)cc3=O)n2)cc1.

What is the InChIKey of 1-(4-chlorophenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-6-methyl-4-oxopyridazine-3-carboxamide?

The InChIKey is HXIHJOMMABEVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN4O3S/c1-13-11-19(28)20(26-27(13)16-7-5-15(23)6-8-16)21(29)25-22-24-18(12-31-22)14-3-9-17(30-2)10-4-14/h3-12H,1-2H3,(H,24,25,29).

What are the key properties of 1-(4-chlorophenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-6-methyl-4-oxopyridazine-3-carboxamide?

1-(4-chlorophenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-6-methyl-4-oxopyridazine-3-carboxamide has a molecular weight of 452.92 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-chlorophenyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-6-methyl-4-oxopyridazine-3-carboxamide is sourced from PubChem (CID 27668806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).