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

C4H6N4O3S2 — CID 1986

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IUPACN-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCC(=O)Nc1nnc(S(N)(=O)=O)s1
InChIInChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
InChIKeyBZKPWHYZMXOIDC-UHFFFAOYSA-N
MW222.25 g/mol
LogP-0.86
Rot. Bonds2

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

N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 1986) has the molecular formula C4H6N4O3S2 and a molecular weight of 222.25 g/mol. Its IUPAC name is N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID1986
Molecular FormulaC4H6N4O3S2
Molecular Weight222.25 g/mol
Exact Mass221.99
IUPAC NameN-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCC(=O)Nc1nnc(S(N)(=O)=O)s1
InChIInChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
InChIKeyBZKPWHYZMXOIDC-UHFFFAOYSA-N
XLogP-0.86
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Propazolamide
CID 10354098
Acetazolamide Sodium
CID 13290219
Butazolamide
CID 519309
2,2-dimethyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide
CID 10515762
2-Methyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide
CID 20475140
Acetazolamide,N-methyl
CID 13754314
N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-3-sulfanylpropanamide
CID 23644659
N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-3-ium-2-yl)acetamide
CID 1798
3-amino-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide
CID 10243877
2-amino-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide
CID 10609913
2-Methylamino-N-(5-sulfamoyl-[1,3,4]thiadiazol-2-yl)-acetamide
CID 10610757
Acetazolamide hydrochloride
CID 16223983

Frequently Asked Questions

What is the IUPAC name of N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide (CID 1986) is N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide is CC(=O)Nc1nnc(S(N)(=O)=O)s1.
What is the InChIKey of N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is BZKPWHYZMXOIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9).
What are the key properties of N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide?
N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 222.25 g/mol, XLogP of -0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 1986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).