2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-(4-phenylbutan-2-yl)acetamide

C19H25N5O2S — CID 22513617

About 2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-(4-phenylbutan-2-yl)acetamide

2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-(4-phenylbutan-2-yl)acetamide (PubChem CID 22513617) has the molecular formula C19H25N5O2S and a molecular weight of 387.51 g/mol. Its IUPAC name is 2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-(4-phenylbutan-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-(4-phenylbutan-2-yl)acetamide
• PubChem CID: 22513617
• Molecular Formula: C19H25N5O2S
• Molecular Weight: 387.51 g/mol
• Exact Mass: 387.17
• IUPAC Name: 2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-(4-phenylbutan-2-yl)acetamide
• SMILES: CC(CCc1ccccc1)NC(=O)CN(C)c1nnc(N2CCCC2=O)s1
• InChI: InChI=1S/C19H25N5O2S/c1-14(10-11-15-7-4-3-5-8-15)20-16(25)13-23(2)18-21-22-19(27-18)24-12-6-9-17(24)26/h3-5,7-8,14H,6,9-13H2,1-2H3,(H,20,25)
• InChIKey: SJHAOCIYLUQJGO-UHFFFAOYSA-N
• XLogP: 2.24
• TPSA: 78.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.51
LogP ≤ 5	2.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-(4-phenylbutan-2-yl)acetamide?

The IUPAC name of 2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-(4-phenylbutan-2-yl)acetamide (CID 22513617) is 2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-(4-phenylbutan-2-yl)acetamide.

What is the SMILES notation for 2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-(4-phenylbutan-2-yl)acetamide?

The canonical SMILES for 2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-(4-phenylbutan-2-yl)acetamide is CC(CCc1ccccc1)NC(=O)CN(C)c1nnc(N2CCCC2=O)s1.

What is the InChIKey of 2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-(4-phenylbutan-2-yl)acetamide?

The InChIKey is SJHAOCIYLUQJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2S/c1-14(10-11-15-7-4-3-5-8-15)20-16(25)13-23(2)18-21-22-19(27-18)24-12-6-9-17(24)26/h3-5,7-8,14H,6,9-13H2,1-2H3,(H,20,25).

What are the key properties of 2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-(4-phenylbutan-2-yl)acetamide?

2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-(4-phenylbutan-2-yl)acetamide has a molecular weight of 387.51 g/mol, XLogP of 2.24, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[methyl-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]amino]-N-(4-phenylbutan-2-yl)acetamide is sourced from PubChem (CID 22513617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).