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

C6H11N5O3S2 — CID 10015713

IUPAC4-amino-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)butanamide
SMILESNCCCC(=O)Nc1nnc(S(N)(=O)=O)s1
InChIInChI=1S/C6H11N5O3S2/c7-3-1-2-4(12)9-5-10-11-6(15-5)16(8,13)14/h1-3,7H2,(H2,8,13,14)(H,9,10,12)
InChIKeyZCRIUVDFDKSJRT-UHFFFAOYSA-N
MW265.32 g/mol
LogP-1.14
Rot. Bonds5

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

4-amino-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)butanamide (PubChem CID 10015713) has the molecular formula C6H11N5O3S2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 4-amino-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-amino-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)butanamide
PubChem CID10015713
Molecular FormulaC6H11N5O3S2
Molecular Weight265.32 g/mol
Exact Mass265.03
IUPAC Name4-amino-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)butanamide
SMILESNCCCC(=O)Nc1nnc(S(N)(=O)=O)s1
InChIInChI=1S/C6H11N5O3S2/c7-3-1-2-4(12)9-5-10-11-6(15-5)16(8,13)14/h1-3,7H2,(H2,8,13,14)(H,9,10,12)
InChIKeyZCRIUVDFDKSJRT-UHFFFAOYSA-N
XLogP-1.14
TPSA141.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 5-1.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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
ethyl 6-oxo-6-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]hexanoate
CID 3083283
[2-oxo-2-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]ethyl]azanium bromide
CID 15041395
methyl N-[8-oxo-8-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]octyl]carbamate
CID 178065843
2-amino-N-[2-oxo-2-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]ethyl]acetamide
CID 10827620
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
(5-sulfamoyl-1,3,4-thiadiazol-2-yl)carbamothioic S-acid
CID 123430728
N-[3-oxo-3-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]propyl]-2-propylpentanamide
CID 11760610
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-(thiophen-2-ylsulfonylamino)propanamide
CID 101078071
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-[3-oxo-3-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]propyl]nonanamide
CID 10580554

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)butanamide?
The IUPAC name of 4-amino-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)butanamide (CID 10015713) is 4-amino-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)butanamide.
What is the SMILES notation for 4-amino-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)butanamide?
The canonical SMILES for 4-amino-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)butanamide is NCCCC(=O)Nc1nnc(S(N)(=O)=O)s1.
What is the InChIKey of 4-amino-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)butanamide?
The InChIKey is ZCRIUVDFDKSJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5O3S2/c7-3-1-2-4(12)9-5-10-11-6(15-5)16(8,13)14/h1-3,7H2,(H2,8,13,14)(H,9,10,12).
What are the key properties of 4-amino-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)butanamide?
4-amino-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)butanamide has a molecular weight of 265.32 g/mol, XLogP of -1.14, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)butanamide is sourced from PubChem (CID 10015713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).