3-[furan-2-ylmethyl-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-N-(pyridin-4-ylmethyl)propanamide

C24H25N5O3S — CID 42778208

About 3-[furan-2-ylmethyl-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-N-(pyridin-4-ylmethyl)propanamide

3-[furan-2-ylmethyl-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-N-(pyridin-4-ylmethyl)propanamide (PubChem CID 42778208) has the molecular formula C24H25N5O3S and a molecular weight of 463.56 g/mol. Its IUPAC name is 3-[furan-2-ylmethyl-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-N-(pyridin-4-ylmethyl)propanamide.

Molecular Properties

• Compound Name: 3-[furan-2-ylmethyl-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-N-(pyridin-4-ylmethyl)propanamide
• PubChem CID: 42778208
• Molecular Formula: C24H25N5O3S
• Molecular Weight: 463.56 g/mol
• Exact Mass: 463.17
• IUPAC Name: 3-[furan-2-ylmethyl-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-N-(pyridin-4-ylmethyl)propanamide
• SMILES: COc1cccc(Cc2nsc(N(CCC(=O)NCc3ccncc3)Cc3ccco3)n2)c1
• InChI: InChI=1S/C24H25N5O3S/c1-31-20-5-2-4-19(14-20)15-22-27-24(33-28-22)29(17-21-6-3-13-32-21)12-9-23(30)26-16-18-7-10-25-11-8-18/h2-8,10-11,13-14H,9,12,15-17H2,1H3,(H,26,30)
• InChIKey: KGGZABWDFBDCTK-UHFFFAOYSA-N
• XLogP: 3.84
• TPSA: 93.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.56
LogP ≤ 5	3.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[furan-2-ylmethyl-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-N-(pyridin-4-ylmethyl)propanamide?

The IUPAC name of 3-[furan-2-ylmethyl-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-N-(pyridin-4-ylmethyl)propanamide (CID 42778208) is 3-[furan-2-ylmethyl-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-N-(pyridin-4-ylmethyl)propanamide.

What is the SMILES notation for 3-[furan-2-ylmethyl-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-N-(pyridin-4-ylmethyl)propanamide?

The canonical SMILES for 3-[furan-2-ylmethyl-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-N-(pyridin-4-ylmethyl)propanamide is COc1cccc(Cc2nsc(N(CCC(=O)NCc3ccncc3)Cc3ccco3)n2)c1.

What is the InChIKey of 3-[furan-2-ylmethyl-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-N-(pyridin-4-ylmethyl)propanamide?

The InChIKey is KGGZABWDFBDCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3S/c1-31-20-5-2-4-19(14-20)15-22-27-24(33-28-22)29(17-21-6-3-13-32-21)12-9-23(30)26-16-18-7-10-25-11-8-18/h2-8,10-11,13-14H,9,12,15-17H2,1H3,(H,26,30).

What are the key properties of 3-[furan-2-ylmethyl-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-N-(pyridin-4-ylmethyl)propanamide?

3-[furan-2-ylmethyl-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-N-(pyridin-4-ylmethyl)propanamide has a molecular weight of 463.56 g/mol, XLogP of 3.84, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[furan-2-ylmethyl-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-N-(pyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 42778208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).