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

C23H18Cl2N4O2S2 — CID 43957473

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

N-(2,3-dichlorophenyl)-2-[6-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide (PubChem CID 43957473) has the molecular formula C23H18Cl2N4O2S2 and a molecular weight of 517.46 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-2-[6-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide.

Molecular Properties

• Compound Name: N-(2,3-dichlorophenyl)-2-[6-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide
• PubChem CID: 43957473
• Molecular Formula: C23H18Cl2N4O2S2
• Molecular Weight: 517.46 g/mol
• Exact Mass: 516.02
• IUPAC Name: N-(2,3-dichlorophenyl)-2-[6-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide
• SMILES: COc1cccc(-c2nc(C)c(-c3ccc(SCC(=O)Nc4cccc(Cl)c4Cl)nn3)s2)c1
• InChI: InChI=1S/C23H18Cl2N4O2S2/c1-13-22(33-23(26-13)14-5-3-6-15(11-14)31-2)18-9-10-20(29-28-18)32-12-19(30)27-17-8-4-7-16(24)21(17)25/h3-11H,12H2,1-2H3,(H,27,30)
• InChIKey: QYPJGIBTAHVIOL-UHFFFAOYSA-N
• XLogP: 6.62
• TPSA: 77.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	517.46
LogP ≤ 5	6.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-(2,3-dichlorophenyl)-2-[6-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide (CID 43957473) is N-(2,3-dichlorophenyl)-2-[6-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide.

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

The canonical SMILES for N-(2,3-dichlorophenyl)-2-[6-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide is COc1cccc(-c2nc(C)c(-c3ccc(SCC(=O)Nc4cccc(Cl)c4Cl)nn3)s2)c1.

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

The InChIKey is QYPJGIBTAHVIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2N4O2S2/c1-13-22(33-23(26-13)14-5-3-6-15(11-14)31-2)18-9-10-20(29-28-18)32-12-19(30)27-17-8-4-7-16(24)21(17)25/h3-11H,12H2,1-2H3,(H,27,30).

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

N-(2,3-dichlorophenyl)-2-[6-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide has a molecular weight of 517.46 g/mol, XLogP of 6.62, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3-dichlorophenyl)-2-[6-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide is sourced from PubChem (CID 43957473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).