2-[(3-cyano-6-methyl-2-pyridinyl)sulfanyl]-N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide

C18H16N6O3S3 — CID 25048892

About 2-[(3-cyano-6-methyl-2-pyridinyl)sulfanyl]-N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide

2-[(3-cyano-6-methyl-2-pyridinyl)sulfanyl]-N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide (PubChem CID 25048892) has the molecular formula C18H16N6O3S3 and a molecular weight of 460.57 g/mol. Its IUPAC name is 2-[(3-cyano-6-methyl-2-pyridinyl)sulfanyl]-N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide.

Molecular Properties

• Compound Name: 2-[(3-cyano-6-methyl-2-pyridinyl)sulfanyl]-N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide
• PubChem CID: 25048892
• Molecular Formula: C18H16N6O3S3
• Molecular Weight: 460.57 g/mol
• Exact Mass: 460.04
• IUPAC Name: 2-[(3-cyano-6-methyl-2-pyridinyl)sulfanyl]-N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide
• SMILES: Cc1ccc(C#N)c(SCC(=O)Nc2ccc(S(=O)(=O)Nc3nnc(C)s3)cc2)n1
• InChI: InChI=1S/C18H16N6O3S3/c1-11-3-4-13(9-19)17(20-11)28-10-16(25)21-14-5-7-15(8-6-14)30(26,27)24-18-23-22-12(2)29-18/h3-8H,10H2,1-2H3,(H,21,25)(H,23,24)
• InChIKey: SYXKJJRIFURGPE-UHFFFAOYSA-N
• XLogP: 2.95
• TPSA: 137.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.57
LogP ≤ 5	2.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-6-methyl-2-pyridinyl)sulfanyl]-N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide?

The IUPAC name of 2-[(3-cyano-6-methyl-2-pyridinyl)sulfanyl]-N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide (CID 25048892) is 2-[(3-cyano-6-methyl-2-pyridinyl)sulfanyl]-N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide.

What is the SMILES notation for 2-[(3-cyano-6-methyl-2-pyridinyl)sulfanyl]-N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide?

The canonical SMILES for 2-[(3-cyano-6-methyl-2-pyridinyl)sulfanyl]-N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide is Cc1ccc(C#N)c(SCC(=O)Nc2ccc(S(=O)(=O)Nc3nnc(C)s3)cc2)n1.

What is the InChIKey of 2-[(3-cyano-6-methyl-2-pyridinyl)sulfanyl]-N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide?

The InChIKey is SYXKJJRIFURGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O3S3/c1-11-3-4-13(9-19)17(20-11)28-10-16(25)21-14-5-7-15(8-6-14)30(26,27)24-18-23-22-12(2)29-18/h3-8H,10H2,1-2H3,(H,21,25)(H,23,24).

What are the key properties of 2-[(3-cyano-6-methyl-2-pyridinyl)sulfanyl]-N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide?

2-[(3-cyano-6-methyl-2-pyridinyl)sulfanyl]-N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide has a molecular weight of 460.57 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3-cyano-6-methyl-2-pyridinyl)sulfanyl]-N-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 25048892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).