[2-oxo-2-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]ethyl]azanium bromide

C4H8BrN5O3S2 — CID 15041395

IUPAC[2-oxo-2-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]ethyl]azanium bromide
SMILESNS(=O)(=O)c1nnc(NC(=O)C[NH3+])s1.[Br-]
InChIInChI=1S/C4H7N5O3S2.BrH/c5-1-2(10)7-3-8-9-4(13-3)14(6,11)12;/h1,5H2,(H2,6,11,12)(H,7,8,10);1H
InChIKeyYBEUTHKGWSOAAT-UHFFFAOYSA-N
MW318.18 g/mol
LogP-5.63
Rot. Bonds3

About [2-oxo-2-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]ethyl]azanium bromide

[2-oxo-2-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]ethyl]azanium bromide (PubChem CID 15041395) has the molecular formula C4H8BrN5O3S2 and a molecular weight of 318.18 g/mol. Its IUPAC name is [2-oxo-2-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]ethyl]azanium bromide.

Molecular Properties

Compound Name[2-oxo-2-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]ethyl]azanium bromide
PubChem CID15041395
Molecular FormulaC4H8BrN5O3S2
Molecular Weight318.18 g/mol
Exact Mass316.93
IUPAC Name[2-oxo-2-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]ethyl]azanium bromide
SMILESNS(=O)(=O)c1nnc(NC(=O)C[NH3+])s1.[Br-]
InChIInChI=1S/C4H7N5O3S2.BrH/c5-1-2(10)7-3-8-9-4(13-3)14(6,11)12;/h1,5H2,(H2,6,11,12)(H,7,8,10);1H
InChIKeyYBEUTHKGWSOAAT-UHFFFAOYSA-N
XLogP-5.63
TPSA142.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.18
LogP ≤ 5-5.63
H-Bond Donors ≤ 53
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

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
(5-sulfamoyl-1,3,4-thiadiazol-2-yl)carbamothioic S-acid
CID 123430728
2,2-diamino-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide
CID 130452184
N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethylsulfonylamino)propanamide
CID 10833817
3-(dimethylsulfamoylamino)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide
CID 101078048
ethyl 6-oxo-6-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]hexanoate
CID 3083283
2-[carbamimidoyl(methyl)amino]-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide
CID 10062976
1-(2-chloroethyl)-3-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)urea
CID 3734828
(2S)-2-amino-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide;hydrobromide
CID 18642236
N-[3-oxo-3-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]propyl]-2-propylpentanamide
CID 11760610

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]ethyl]azanium bromide?
The IUPAC name of [2-oxo-2-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]ethyl]azanium bromide (CID 15041395) is [2-oxo-2-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]ethyl]azanium bromide.
What is the SMILES notation for [2-oxo-2-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]ethyl]azanium bromide?
The canonical SMILES for [2-oxo-2-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]ethyl]azanium bromide is NS(=O)(=O)c1nnc(NC(=O)C[NH3+])s1.[Br-].
What is the InChIKey of [2-oxo-2-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]ethyl]azanium bromide?
The InChIKey is YBEUTHKGWSOAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N5O3S2.BrH/c5-1-2(10)7-3-8-9-4(13-3)14(6,11)12;/h1,5H2,(H2,6,11,12)(H,7,8,10);1H.
What are the key properties of [2-oxo-2-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]ethyl]azanium bromide?
[2-oxo-2-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]ethyl]azanium bromide has a molecular weight of 318.18 g/mol, XLogP of -5.63, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]ethyl]azanium bromide is sourced from PubChem (CID 15041395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).