2-[[5-(oxolan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-propan-2-ylphenyl)propanamide

C19H26N4O2S2 — CID 46639681

About 2-[[5-(oxolan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-propan-2-ylphenyl)propanamide

2-[[5-(oxolan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-propan-2-ylphenyl)propanamide (PubChem CID 46639681) has the molecular formula C19H26N4O2S2 and a molecular weight of 406.58 g/mol. Its IUPAC name is 2-[[5-(oxolan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-propan-2-ylphenyl)propanamide.

Molecular Properties

• Compound Name: 2-[[5-(oxolan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-propan-2-ylphenyl)propanamide
• PubChem CID: 46639681
• Molecular Formula: C19H26N4O2S2
• Molecular Weight: 406.58 g/mol
• Exact Mass: 406.15
• IUPAC Name: 2-[[5-(oxolan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-propan-2-ylphenyl)propanamide
• SMILES: CC(Sc1nnc(NCC2CCCO2)s1)C(=O)Nc1ccccc1C(C)C
• InChI: InChI=1S/C19H26N4O2S2/c1-12(2)15-8-4-5-9-16(15)21-17(24)13(3)26-19-23-22-18(27-19)20-11-14-7-6-10-25-14/h4-5,8-9,12-14H,6-7,10-11H2,1-3H3,(H,20,22)(H,21,24)
• InChIKey: SSOKDNQCARICHN-UHFFFAOYSA-N
• XLogP: 4.37
• TPSA: 76.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.58
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(oxolan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-propan-2-ylphenyl)propanamide?

The IUPAC name of 2-[[5-(oxolan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-propan-2-ylphenyl)propanamide (CID 46639681) is 2-[[5-(oxolan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-propan-2-ylphenyl)propanamide.

What is the SMILES notation for 2-[[5-(oxolan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-propan-2-ylphenyl)propanamide?

The canonical SMILES for 2-[[5-(oxolan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-propan-2-ylphenyl)propanamide is CC(Sc1nnc(NCC2CCCO2)s1)C(=O)Nc1ccccc1C(C)C.

What is the InChIKey of 2-[[5-(oxolan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-propan-2-ylphenyl)propanamide?

The InChIKey is SSOKDNQCARICHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2S2/c1-12(2)15-8-4-5-9-16(15)21-17(24)13(3)26-19-23-22-18(27-19)20-11-14-7-6-10-25-14/h4-5,8-9,12-14H,6-7,10-11H2,1-3H3,(H,20,22)(H,21,24).

What are the key properties of 2-[[5-(oxolan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-propan-2-ylphenyl)propanamide?

2-[[5-(oxolan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-propan-2-ylphenyl)propanamide has a molecular weight of 406.58 g/mol, XLogP of 4.37, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-(oxolan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(2-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 46639681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).