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

C22H15Cl2FN4OS2 — CID 18562801

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

N-(3,5-dichlorophenyl)-2-[6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide (PubChem CID 18562801) has the molecular formula C22H15Cl2FN4OS2 and a molecular weight of 505.43 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-2-[6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide.

Molecular Properties

• Compound Name: N-(3,5-dichlorophenyl)-2-[6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide
• PubChem CID: 18562801
• Molecular Formula: C22H15Cl2FN4OS2
• Molecular Weight: 505.43 g/mol
• Exact Mass: 504.00
• IUPAC Name: N-(3,5-dichlorophenyl)-2-[6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide
• SMILES: Cc1nc(-c2ccc(F)cc2)sc1-c1ccc(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nn1
• InChI: InChI=1S/C22H15Cl2FN4OS2/c1-12-21(32-22(26-12)13-2-4-16(25)5-3-13)18-6-7-20(29-28-18)31-11-19(30)27-17-9-14(23)8-15(24)10-17/h2-10H,11H2,1H3,(H,27,30)
• InChIKey: QEIRXLAEJROLKQ-UHFFFAOYSA-N
• XLogP: 6.75
• TPSA: 67.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	505.43
LogP ≤ 5	6.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-(3,5-dichlorophenyl)-2-[6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide (CID 18562801) is N-(3,5-dichlorophenyl)-2-[6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide.

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

The canonical SMILES for N-(3,5-dichlorophenyl)-2-[6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide is Cc1nc(-c2ccc(F)cc2)sc1-c1ccc(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nn1.

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

The InChIKey is QEIRXLAEJROLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl2FN4OS2/c1-12-21(32-22(26-12)13-2-4-16(25)5-3-13)18-6-7-20(29-28-18)31-11-19(30)27-17-9-14(23)8-15(24)10-17/h2-10H,11H2,1H3,(H,27,30).

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

N-(3,5-dichlorophenyl)-2-[6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide has a molecular weight of 505.43 g/mol, XLogP of 6.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,5-dichlorophenyl)-2-[6-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide is sourced from PubChem (CID 18562801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).