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

C21H26N4O4S — CID 3901093

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

N-(furan-2-ylmethyl)-3-[2-methoxyethyl-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]propanamide (PubChem CID 3901093) has the molecular formula C21H26N4O4S and a molecular weight of 430.53 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-[2-methoxyethyl-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]propanamide.

Molecular Properties

• Compound Name: N-(furan-2-ylmethyl)-3-[2-methoxyethyl-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]propanamide
• PubChem CID: 3901093
• Molecular Formula: C21H26N4O4S
• Molecular Weight: 430.53 g/mol
• Exact Mass: 430.17
• IUPAC Name: N-(furan-2-ylmethyl)-3-[2-methoxyethyl-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]propanamide
• SMILES: COCCN(CCC(=O)NCc1ccco1)c1nc(Cc2cccc(OC)c2)ns1
• InChI: InChI=1S/C21H26N4O4S/c1-27-12-10-25(9-8-20(26)22-15-18-7-4-11-29-18)21-23-19(24-30-21)14-16-5-3-6-17(13-16)28-2/h3-7,11,13H,8-10,12,14-15H2,1-2H3,(H,22,26)
• InChIKey: IDUJQLQXFTZPRF-UHFFFAOYSA-N
• XLogP: 2.89
• TPSA: 89.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.53
LogP ≤ 5	2.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-(furan-2-ylmethyl)-3-[2-methoxyethyl-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]propanamide (CID 3901093) is N-(furan-2-ylmethyl)-3-[2-methoxyethyl-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]propanamide.

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

The canonical SMILES for N-(furan-2-ylmethyl)-3-[2-methoxyethyl-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]propanamide is COCCN(CCC(=O)NCc1ccco1)c1nc(Cc2cccc(OC)c2)ns1.

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

The InChIKey is IDUJQLQXFTZPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4S/c1-27-12-10-25(9-8-20(26)22-15-18-7-4-11-29-18)21-23-19(24-30-21)14-16-5-3-6-17(13-16)28-2/h3-7,11,13H,8-10,12,14-15H2,1-2H3,(H,22,26).

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

N-(furan-2-ylmethyl)-3-[2-methoxyethyl-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]propanamide has a molecular weight of 430.53 g/mol, XLogP of 2.89, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(furan-2-ylmethyl)-3-[2-methoxyethyl-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]propanamide is sourced from PubChem (CID 3901093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).