2-[6-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide

C24H19F3N4O2S2 — CID 16840642

About 2-[6-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide

2-[6-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 16840642) has the molecular formula C24H19F3N4O2S2 and a molecular weight of 516.57 g/mol. Its IUPAC name is 2-[6-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

• Compound Name: 2-[6-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
• PubChem CID: 16840642
• Molecular Formula: C24H19F3N4O2S2
• Molecular Weight: 516.57 g/mol
• Exact Mass: 516.09
• IUPAC Name: 2-[6-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
• SMILES: COc1ccc(-c2nc(C)c(-c3ccc(SCC(=O)Nc4ccccc4C(F)(F)F)nn3)s2)cc1
• InChI: InChI=1S/C24H19F3N4O2S2/c1-14-22(35-23(28-14)15-7-9-16(33-2)10-8-15)19-11-12-21(31-30-19)34-13-20(32)29-18-6-4-3-5-17(18)24(25,26)27/h3-12H,13H2,1-2H3,(H,29,32)
• InChIKey: VZBQBCHYXZIRGY-UHFFFAOYSA-N
• XLogP: 6.33
• TPSA: 77.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	516.57
LogP ≤ 5	6.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-[6-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide (CID 16840642) is 2-[6-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide.

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

The canonical SMILES for 2-[6-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide is COc1ccc(-c2nc(C)c(-c3ccc(SCC(=O)Nc4ccccc4C(F)(F)F)nn3)s2)cc1.

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

The InChIKey is VZBQBCHYXZIRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N4O2S2/c1-14-22(35-23(28-14)15-7-9-16(33-2)10-8-15)19-11-12-21(31-30-19)34-13-20(32)29-18-6-4-3-5-17(18)24(25,26)27/h3-12H,13H2,1-2H3,(H,29,32).

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

2-[6-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 516.57 g/mol, XLogP of 6.33, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 16840642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).