2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-methoxyphenyl)propanamide

C14H16N4O3S3 — CID 17413151

About 2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-methoxyphenyl)propanamide

2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-methoxyphenyl)propanamide (PubChem CID 17413151) has the molecular formula C14H16N4O3S3 and a molecular weight of 384.51 g/mol. Its IUPAC name is 2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-methoxyphenyl)propanamide.

Molecular Properties

• Compound Name: 2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-methoxyphenyl)propanamide
• PubChem CID: 17413151
• Molecular Formula: C14H16N4O3S3
• Molecular Weight: 384.51 g/mol
• Exact Mass: 384.04
• IUPAC Name: 2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-methoxyphenyl)propanamide
• SMILES: COc1ccc(NC(=O)C(C)Sc2nnc(SCC(N)=O)s2)cc1
• InChI: InChI=1S/C14H16N4O3S3/c1-8(12(20)16-9-3-5-10(21-2)6-4-9)23-14-18-17-13(24-14)22-7-11(15)19/h3-6,8H,7H2,1-2H3,(H2,15,19)(H,16,20)
• InChIKey: LDOKTCZKNQBELY-UHFFFAOYSA-N
• XLogP: 2.24
• TPSA: 107.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.51
LogP ≤ 5	2.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-methoxyphenyl)propanamide (CID 17413151) is 2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-methoxyphenyl)propanamide.

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

The canonical SMILES for 2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-methoxyphenyl)propanamide is COc1ccc(NC(=O)C(C)Sc2nnc(SCC(N)=O)s2)cc1.

What is the InChIKey of 2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-methoxyphenyl)propanamide?

The InChIKey is LDOKTCZKNQBELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3S3/c1-8(12(20)16-9-3-5-10(21-2)6-4-9)23-14-18-17-13(24-14)22-7-11(15)19/h3-6,8H,7H2,1-2H3,(H2,15,19)(H,16,20).

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

2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-methoxyphenyl)propanamide has a molecular weight of 384.51 g/mol, XLogP of 2.24, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-(2-amino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 17413151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).