2-[[5-[2-oxo-2-(propylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)propanamide

C18H24N4O2S3 — CID 55421644

About 2-[[5-[2-oxo-2-(propylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)propanamide

2-[[5-[2-oxo-2-(propylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)propanamide (PubChem CID 55421644) has the molecular formula C18H24N4O2S3 and a molecular weight of 424.62 g/mol. Its IUPAC name is 2-[[5-[2-oxo-2-(propylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)propanamide.

Molecular Properties

• Compound Name: 2-[[5-[2-oxo-2-(propylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)propanamide
• PubChem CID: 55421644
• Molecular Formula: C18H24N4O2S3
• Molecular Weight: 424.62 g/mol
• Exact Mass: 424.11
• IUPAC Name: 2-[[5-[2-oxo-2-(propylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)propanamide
• SMILES: CCCNC(=O)CSc1nnc(SC(C)C(=O)NCCc2ccccc2)s1
• InChI: InChI=1S/C18H24N4O2S3/c1-3-10-19-15(23)12-25-17-21-22-18(27-17)26-13(2)16(24)20-11-9-14-7-5-4-6-8-14/h4-8,13H,3,9-12H2,1-2H3,(H,19,23)(H,20,24)
• InChIKey: DJBLFBCKDWCBCJ-UHFFFAOYSA-N
• XLogP: 3.00
• TPSA: 83.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.62
LogP ≤ 5	3.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[2-oxo-2-(propylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)propanamide?

The IUPAC name of 2-[[5-[2-oxo-2-(propylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)propanamide (CID 55421644) is 2-[[5-[2-oxo-2-(propylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)propanamide.

What is the SMILES notation for 2-[[5-[2-oxo-2-(propylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)propanamide?

The canonical SMILES for 2-[[5-[2-oxo-2-(propylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)propanamide is CCCNC(=O)CSc1nnc(SC(C)C(=O)NCCc2ccccc2)s1.

What is the InChIKey of 2-[[5-[2-oxo-2-(propylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)propanamide?

The InChIKey is DJBLFBCKDWCBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S3/c1-3-10-19-15(23)12-25-17-21-22-18(27-17)26-13(2)16(24)20-11-9-14-7-5-4-6-8-14/h4-8,13H,3,9-12H2,1-2H3,(H,19,23)(H,20,24).

What are the key properties of 2-[[5-[2-oxo-2-(propylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)propanamide?

2-[[5-[2-oxo-2-(propylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)propanamide has a molecular weight of 424.62 g/mol, XLogP of 3.00, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-[2-oxo-2-(propylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 55421644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).