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

C14H20N6O2S — CID 118745532

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

2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 118745532) has the molecular formula C14H20N6O2S and a molecular weight of 336.42 g/mol. Its IUPAC name is 2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
• PubChem CID: 118745532
• Molecular Formula: C14H20N6O2S
• Molecular Weight: 336.42 g/mol
• Exact Mass: 336.14
• IUPAC Name: 2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
• SMILES: Cc1cnc(CN(C)C2CCN(CC(=O)Nc3nncs3)C2)o1
• InChI: InChI=1S/C14H20N6O2S/c1-10-5-15-13(22-10)8-19(2)11-3-4-20(6-11)7-12(21)17-14-18-16-9-23-14/h5,9,11H,3-4,6-8H2,1-2H3,(H,17,18,21)
• InChIKey: GPDZYMAOUJAOBE-UHFFFAOYSA-N
• XLogP: 0.98
• TPSA: 87.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	336.42
LogP ≤ 5	0.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide (CID 118745532) is 2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide.

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

The canonical SMILES for 2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide is Cc1cnc(CN(C)C2CCN(CC(=O)Nc3nncs3)C2)o1.

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

The InChIKey is GPDZYMAOUJAOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O2S/c1-10-5-15-13(22-10)8-19(2)11-3-4-20(6-11)7-12(21)17-14-18-16-9-23-14/h5,9,11H,3-4,6-8H2,1-2H3,(H,17,18,21).

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

2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 336.42 g/mol, XLogP of 0.98, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 118745532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).