2-(2-amino-1,2,4-thiadiazolidin-3-yl)acetamide

C₄H₁₀N₄OS — CID 173275218

About 2-(2-amino-1,2,4-thiadiazolidin-3-yl)acetamide

2-(2-amino-1,2,4-thiadiazolidin-3-yl)acetamide (PubChem CID 173275218) has the molecular formula C₄H₁₀N₄OS and a molecular weight of 162.22 g/mol. Its IUPAC name is 2-(2-amino-1,2,4-thiadiazolidin-3-yl)acetamide.

Molecular Properties

• Compound Name: 2-(2-amino-1,2,4-thiadiazolidin-3-yl)acetamide
• PubChem CID: 173275218
• Molecular Formula: C₄H₁₀N₄OS
• Molecular Weight: 162.22 g/mol
• Exact Mass: 162.06
• IUPAC Name: 2-(2-amino-1,2,4-thiadiazolidin-3-yl)acetamide
• SMILES: NC(=O)CC1NCSN1N
• InChI: InChI=1S/C4H10N4OS/c5-3(9)1-4-7-2-10-8(4)6/h4,7H,1-2,6H2,(H2,5,9)
• InChIKey: JBXBWNWRQDACGL-UHFFFAOYSA-N
• XLogP: -1.43
• TPSA: 84.38 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 10
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	162.22
LogP ≤ 5	-1.43
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,2,4-thiadiazolidin-3-yl)acetamide?

The IUPAC name of 2-(2-amino-1,2,4-thiadiazolidin-3-yl)acetamide (CID 173275218) is 2-(2-amino-1,2,4-thiadiazolidin-3-yl)acetamide.

What is the SMILES notation for 2-(2-amino-1,2,4-thiadiazolidin-3-yl)acetamide?

The canonical SMILES for 2-(2-amino-1,2,4-thiadiazolidin-3-yl)acetamide is NC(=O)CC1NCSN1N.

What is the InChIKey of 2-(2-amino-1,2,4-thiadiazolidin-3-yl)acetamide?

The InChIKey is JBXBWNWRQDACGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N4OS/c5-3(9)1-4-7-2-10-8(4)6/h4,7H,1-2,6H2,(H2,5,9).

What are the key properties of 2-(2-amino-1,2,4-thiadiazolidin-3-yl)acetamide?

2-(2-amino-1,2,4-thiadiazolidin-3-yl)acetamide has a molecular weight of 162.22 g/mol, XLogP of -1.43, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-amino-1,2,4-thiadiazolidin-3-yl)acetamide is sourced from PubChem (CID 173275218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 173275218 — identifiers, structure, computed properties (public domain)

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