2-[[5-[2-[di(butan-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide

C17H30N4O2S3 — CID 18279675

About 2-[[5-[2-[di(butan-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide

2-[[5-[2-[di(butan-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide (PubChem CID 18279675) has the molecular formula C17H30N4O2S3 and a molecular weight of 418.65 g/mol. Its IUPAC name is 2-[[5-[2-[di(butan-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide.

Molecular Properties

• Compound Name: 2-[[5-[2-[di(butan-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide
• PubChem CID: 18279675
• Molecular Formula: C17H30N4O2S3
• Molecular Weight: 418.65 g/mol
• Exact Mass: 418.15
• IUPAC Name: 2-[[5-[2-[di(butan-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide
• SMILES: CCCNC(=O)CSc1nnc(SCC(=O)N(C(C)CC)C(C)CC)s1
• InChI: InChI=1S/C17H30N4O2S3/c1-6-9-18-14(22)10-24-16-19-20-17(26-16)25-11-15(23)21(12(4)7-2)13(5)8-3/h12-13H,6-11H2,1-5H3,(H,18,22)
• InChIKey: WWTWVJQPXRGHMF-UHFFFAOYSA-N
• XLogP: 3.67
• TPSA: 75.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.65
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-[[5-[2-[di(butan-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide (CID 18279675) is 2-[[5-[2-[di(butan-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide.

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

The canonical SMILES for 2-[[5-[2-[di(butan-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide is CCCNC(=O)CSc1nnc(SCC(=O)N(C(C)CC)C(C)CC)s1.

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

The InChIKey is WWTWVJQPXRGHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O2S3/c1-6-9-18-14(22)10-24-16-19-20-17(26-16)25-11-15(23)21(12(4)7-2)13(5)8-3/h12-13H,6-11H2,1-5H3,(H,18,22).

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

2-[[5-[2-[di(butan-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide has a molecular weight of 418.65 g/mol, XLogP of 3.67, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-[2-[di(butan-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propylacetamide is sourced from PubChem (CID 18279675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).