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

C6H10N4O3S2 — CID 519309

💊View drug profile → butazolamide
IUPACN-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCCCC(=O)Nc1nnc(S(N)(=O)=O)s1
InChIInChI=1S/C6H10N4O3S2/c1-2-3-4(11)8-5-9-10-6(14-5)15(7,12)13/h2-3H2,1H3,(H2,7,12,13)(H,8,9,11)
InChIKeyHZIYHIRJHYIRQO-UHFFFAOYSA-N
MW250.30 g/mol
LogP-0.08
Rot. Bonds4

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

N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)butanamide (PubChem CID 519309) has the molecular formula C6H10N4O3S2 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)butanamide.

Molecular Properties

Compound NameN-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)butanamide
PubChem CID519309
Molecular FormulaC6H10N4O3S2
Molecular Weight250.30 g/mol
Exact Mass250.02
IUPAC NameN-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)butanamide
SMILESCCCC(=O)Nc1nnc(S(N)(=O)=O)s1
InChIInChI=1S/C6H10N4O3S2/c1-2-3-4(11)8-5-9-10-6(14-5)15(7,12)13/h2-3H2,1H3,(H2,7,12,13)(H,8,9,11)
InChIKeyHZIYHIRJHYIRQO-UHFFFAOYSA-N
XLogP-0.08
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 5-0.08
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

Acetazolamide
CID 1986
Propazolamide
CID 10354098
Acetazolamide Sodium
CID 13290219
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
Methyl 4-{[5-(aminosulfonyl)-1,3,4-thiadiazol-2-yl]amino}-4-oxobutanoate
CID 641380
3-amino-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide
CID 10243877
5-amino-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)pentanamide
CID 15665955
Acetazolamide hydrochloride
CID 16223983
Acetazolamide M5
CID 20608147

Frequently Asked Questions

What is the IUPAC name of N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)butanamide?
The IUPAC name of N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)butanamide (CID 519309) is N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)butanamide.
What is the SMILES notation for N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)butanamide?
The canonical SMILES for N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)butanamide is CCCC(=O)Nc1nnc(S(N)(=O)=O)s1.
What is the InChIKey of N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)butanamide?
The InChIKey is HZIYHIRJHYIRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O3S2/c1-2-3-4(11)8-5-9-10-6(14-5)15(7,12)13/h2-3H2,1H3,(H2,7,12,13)(H,8,9,11).
What are the key properties of N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)butanamide?
N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)butanamide has a molecular weight of 250.30 g/mol, XLogP of -0.08, 4 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)butanamide is sourced from PubChem (CID 519309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).