2,2-diamino-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide

C4H8N6O3S2 — CID 130452184

IUPAC2,2-diamino-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESNC(N)C(=O)Nc1nnc(S(N)(=O)=O)s1
InChIInChI=1S/C4H8N6O3S2/c5-1(6)2(11)8-3-9-10-4(14-3)15(7,12)13/h1H,5-6H2,(H2,7,12,13)(H,8,9,11)
InChIKeyXXJUHOQHABPLIB-UHFFFAOYSA-N
MW252.28 g/mol
LogP-2.63
Rot. Bonds3

About 2,2-diamino-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide

2,2-diamino-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 130452184) has the molecular formula C4H8N6O3S2 and a molecular weight of 252.28 g/mol. Its IUPAC name is 2,2-diamino-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2,2-diamino-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID130452184
Molecular FormulaC4H8N6O3S2
Molecular Weight252.28 g/mol
Exact Mass252.01
IUPAC Name2,2-diamino-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESNC(N)C(=O)Nc1nnc(S(N)(=O)=O)s1
InChIInChI=1S/C4H8N6O3S2/c5-1(6)2(11)8-3-9-10-4(14-3)15(7,12)13/h1H,5-6H2,(H2,7,12,13)(H,8,9,11)
InChIKeyXXJUHOQHABPLIB-UHFFFAOYSA-N
XLogP-2.63
TPSA167.08 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 5-2.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

Analyze 2,2-diamino-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide;hydrobromide
CID 18642236
(5-sulfamoyl-1,3,4-thiadiazol-2-yl)carbamothioic S-acid
CID 123430728
[2-oxo-2-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]ethyl]azanium bromide
CID 15041395
3-chloro-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide
CID 54476371
4-amino-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)butanamide
CID 10015713
2-amino-N-[2-oxo-2-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]ethyl]acetamide
CID 10827620
1-(2-chloroethyl)-3-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)urea
CID 3734828
1,2,2,3-tetramethyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide
CID 21113546
N-[3-oxo-3-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]propyl]-2-propylpentanamide
CID 11760610
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)nonanamide
CID 10722619
2-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]butanedioic acid
CID 71341876
3-[(2S)-2-amino-3-oxo-3-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]propyl]indole-1-carboxylic acid
CID 130431642

Frequently Asked Questions

What is the IUPAC name of 2,2-diamino-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2,2-diamino-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide (CID 130452184) is 2,2-diamino-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2,2-diamino-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2,2-diamino-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide is NC(N)C(=O)Nc1nnc(S(N)(=O)=O)s1.
What is the InChIKey of 2,2-diamino-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is XXJUHOQHABPLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N6O3S2/c5-1(6)2(11)8-3-9-10-4(14-3)15(7,12)13/h1H,5-6H2,(H2,7,12,13)(H,8,9,11).
What are the key properties of 2,2-diamino-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide?
2,2-diamino-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 252.28 g/mol, XLogP of -2.63, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diamino-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 130452184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).