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

C21H19N5O3S2 — CID 16916862

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

2-[6-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)acetamide (PubChem CID 16916862) has the molecular formula C21H19N5O3S2 and a molecular weight of 453.55 g/mol. Its IUPAC name is 2-[6-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)acetamide.

Molecular Properties

• Compound Name: 2-[6-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)acetamide
• PubChem CID: 16916862
• Molecular Formula: C21H19N5O3S2
• Molecular Weight: 453.55 g/mol
• Exact Mass: 453.09
• IUPAC Name: 2-[6-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)acetamide
• SMILES: COc1ccccc1-c1nc(C)c(-c2ccc(SCC(=O)Nc3cc(C)no3)nn2)s1
• InChI: InChI=1S/C21H19N5O3S2/c1-12-10-18(29-26-12)23-17(27)11-30-19-9-8-15(24-25-19)20-13(2)22-21(31-20)14-6-4-5-7-16(14)28-3/h4-10H,11H2,1-3H3,(H,23,27)
• InChIKey: WLRWGLNQUNUJFR-UHFFFAOYSA-N
• XLogP: 4.61
• TPSA: 103.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.55
LogP ≤ 5	4.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 2-[6-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)acetamide (CID 16916862) is 2-[6-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)acetamide.

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

The canonical SMILES for 2-[6-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)acetamide is COc1ccccc1-c1nc(C)c(-c2ccc(SCC(=O)Nc3cc(C)no3)nn2)s1.

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

The InChIKey is WLRWGLNQUNUJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3S2/c1-12-10-18(29-26-12)23-17(27)11-30-19-9-8-15(24-25-19)20-13(2)22-21(31-20)14-6-4-5-7-16(14)28-3/h4-10H,11H2,1-3H3,(H,23,27).

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

2-[6-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)acetamide has a molecular weight of 453.55 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[2-(2-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]pyridazin-3-yl]sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)acetamide is sourced from PubChem (CID 16916862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).