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

C24H21ClN4O3S2 — CID 16840656

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

N-(5-chloro-2-methoxyphenyl)-2-[6-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide (PubChem CID 16840656) has the molecular formula C24H21ClN4O3S2 and a molecular weight of 513.04 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-[6-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide.

Molecular Properties

• Compound Name: N-(5-chloro-2-methoxyphenyl)-2-[6-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide
• PubChem CID: 16840656
• Molecular Formula: C24H21ClN4O3S2
• Molecular Weight: 513.04 g/mol
• Exact Mass: 512.07
• IUPAC Name: N-(5-chloro-2-methoxyphenyl)-2-[6-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide
• SMILES: COc1ccc(Cl)cc1NC(=O)CSc1ccc(-c2sc(-c3ccccc3OC)nc2C)nn1
• InChI: InChI=1S/C24H21ClN4O3S2/c1-14-23(34-24(26-14)16-6-4-5-7-19(16)31-2)17-9-11-22(29-28-17)33-13-21(30)27-18-12-15(25)8-10-20(18)32-3/h4-12H,13H2,1-3H3,(H,27,30)
• InChIKey: OSAXTFBWRJFDAF-UHFFFAOYSA-N
• XLogP: 5.98
• TPSA: 86.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	513.04
LogP ≤ 5	5.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[6-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide (CID 16840656) is N-(5-chloro-2-methoxyphenyl)-2-[6-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide.

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

The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-[6-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide is COc1ccc(Cl)cc1NC(=O)CSc1ccc(-c2sc(-c3ccccc3OC)nc2C)nn1.

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

The InChIKey is OSAXTFBWRJFDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O3S2/c1-14-23(34-24(26-14)16-6-4-5-7-19(16)31-2)17-9-11-22(29-28-17)33-13-21(30)27-18-12-15(25)8-10-20(18)32-3/h4-12H,13H2,1-3H3,(H,27,30).

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

N-(5-chloro-2-methoxyphenyl)-2-[6-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide has a molecular weight of 513.04 g/mol, XLogP of 5.98, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-chloro-2-methoxyphenyl)-2-[6-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanylacetamide is sourced from PubChem (CID 16840656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).