N-(4-chlorophenyl)-2-[6-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide

C23H19ClN4O2S2 — CID 16916774

About N-(4-chlorophenyl)-2-[6-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide

N-(4-chlorophenyl)-2-[6-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide (PubChem CID 16916774) has the molecular formula C23H19ClN4O2S2 and a molecular weight of 483.02 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[6-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide.

Molecular Properties

• Compound Name: N-(4-chlorophenyl)-2-[6-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide
• PubChem CID: 16916774
• Molecular Formula: C23H19ClN4O2S2
• Molecular Weight: 483.02 g/mol
• Exact Mass: 482.06
• IUPAC Name: N-(4-chlorophenyl)-2-[6-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide
• SMILES: COc1ccc(-c2nc(C)c(-c3ccc(SCC(=O)Nc4ccc(Cl)cc4)nn3)s2)cc1
• InChI: InChI=1S/C23H19ClN4O2S2/c1-14-22(32-23(25-14)15-3-9-18(30-2)10-4-15)19-11-12-21(28-27-19)31-13-20(29)26-17-7-5-16(24)6-8-17/h3-12H,13H2,1-2H3,(H,26,29)
• InChIKey: MRIRDFXOTQRKNJ-UHFFFAOYSA-N
• XLogP: 5.97
• TPSA: 77.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.02
LogP ≤ 5	5.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[6-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide?

The IUPAC name of N-(4-chlorophenyl)-2-[6-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide (CID 16916774) is N-(4-chlorophenyl)-2-[6-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide.

What is the SMILES notation for N-(4-chlorophenyl)-2-[6-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide?

The canonical SMILES for N-(4-chlorophenyl)-2-[6-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide is COc1ccc(-c2nc(C)c(-c3ccc(SCC(=O)Nc4ccc(Cl)cc4)nn3)s2)cc1.

What is the InChIKey of N-(4-chlorophenyl)-2-[6-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide?

The InChIKey is MRIRDFXOTQRKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O2S2/c1-14-22(32-23(25-14)15-3-9-18(30-2)10-4-15)19-11-12-21(28-27-19)31-13-20(29)26-17-7-5-16(24)6-8-17/h3-12H,13H2,1-2H3,(H,26,29).

What are the key properties of N-(4-chlorophenyl)-2-[6-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide?

N-(4-chlorophenyl)-2-[6-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide has a molecular weight of 483.02 g/mol, XLogP of 5.97, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-chlorophenyl)-2-[6-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide is sourced from PubChem (CID 16916774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).