N-(3-methyl-1,2,4-thiadiazol-5-yl)-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]sulfanylpyridine-2-carboxamide

C24H24N8O3S3 — CID 25066799

About N-(3-methyl-1,2,4-thiadiazol-5-yl)-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]sulfanylpyridine-2-carboxamide

N-(3-methyl-1,2,4-thiadiazol-5-yl)-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]sulfanylpyridine-2-carboxamide (PubChem CID 25066799) has the molecular formula C24H24N8O3S3 and a molecular weight of 568.71 g/mol. Its IUPAC name is N-(3-methyl-1,2,4-thiadiazol-5-yl)-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]sulfanylpyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-(3-methyl-1,2,4-thiadiazol-5-yl)-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]sulfanylpyridine-2-carboxamide
• PubChem CID: 25066799
• Molecular Formula: C24H24N8O3S3
• Molecular Weight: 568.71 g/mol
• Exact Mass: 568.11
• IUPAC Name: N-(3-methyl-1,2,4-thiadiazol-5-yl)-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]sulfanylpyridine-2-carboxamide
• SMILES: Cc1nsc(NC(=O)c2nc(Sc3nncn3C)ccc2Sc2ccc(OCCN3CCCC3=O)cc2)n1
• InChI: InChI=1S/C24H24N8O3S3/c1-15-26-23(38-30-15)28-22(34)21-18(9-10-19(27-21)37-24-29-25-14-31(24)2)36-17-7-5-16(6-8-17)35-13-12-32-11-3-4-20(32)33/h5-10,14H,3-4,11-13H2,1-2H3,(H,26,28,30,34)
• InChIKey: UVQYAUCWHNYQKZ-UHFFFAOYSA-N
• XLogP: 3.93
• TPSA: 128.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	568.71
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,2,4-thiadiazol-5-yl)-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]sulfanylpyridine-2-carboxamide?

The IUPAC name of N-(3-methyl-1,2,4-thiadiazol-5-yl)-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]sulfanylpyridine-2-carboxamide (CID 25066799) is N-(3-methyl-1,2,4-thiadiazol-5-yl)-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]sulfanylpyridine-2-carboxamide.

What is the SMILES notation for N-(3-methyl-1,2,4-thiadiazol-5-yl)-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]sulfanylpyridine-2-carboxamide?

The canonical SMILES for N-(3-methyl-1,2,4-thiadiazol-5-yl)-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]sulfanylpyridine-2-carboxamide is Cc1nsc(NC(=O)c2nc(Sc3nncn3C)ccc2Sc2ccc(OCCN3CCCC3=O)cc2)n1.

What is the InChIKey of N-(3-methyl-1,2,4-thiadiazol-5-yl)-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]sulfanylpyridine-2-carboxamide?

The InChIKey is UVQYAUCWHNYQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N8O3S3/c1-15-26-23(38-30-15)28-22(34)21-18(9-10-19(27-21)37-24-29-25-14-31(24)2)36-17-7-5-16(6-8-17)35-13-12-32-11-3-4-20(32)33/h5-10,14H,3-4,11-13H2,1-2H3,(H,26,28,30,34).

What are the key properties of N-(3-methyl-1,2,4-thiadiazol-5-yl)-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]sulfanylpyridine-2-carboxamide?

N-(3-methyl-1,2,4-thiadiazol-5-yl)-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]sulfanylpyridine-2-carboxamide has a molecular weight of 568.71 g/mol, XLogP of 3.93, 10 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-methyl-1,2,4-thiadiazol-5-yl)-6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-[4-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]sulfanylpyridine-2-carboxamide is sourced from PubChem (CID 25066799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).