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

C4H10N4OS — CID 173275218

IUPAC2-(2-amino-1,2,4-thiadiazolidin-3-yl)acetamide
SMILESNC(=O)CC1NCSN1N
InChIInChI=1S/C4H10N4OS/c5-3(9)1-4-7-2-10-8(4)6/h4,7H,1-2,6H2,(H2,5,9)
InChIKeyJBXBWNWRQDACGL-UHFFFAOYSA-N
MW162.22 g/mol
LogP-1.43
Rot. Bonds2

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 Name2-(2-amino-1,2,4-thiadiazolidin-3-yl)acetamide
PubChem CID173275218
Molecular FormulaC4H10N4OS
Molecular Weight162.22 g/mol
Exact Mass162.06
IUPAC Name2-(2-amino-1,2,4-thiadiazolidin-3-yl)acetamide
SMILESNC(=O)CC1NCSN1N
InChIInChI=1S/C4H10N4OS/c5-3(9)1-4-7-2-10-8(4)6/h4,7H,1-2,6H2,(H2,5,9)
InChIKeyJBXBWNWRQDACGL-UHFFFAOYSA-N
XLogP-1.43
TPSA84.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.22
LogP ≤ 5-1.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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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).