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

C5H7ClN4O3S2 — CID 54476371

IUPAC3-chloro-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESNS(=O)(=O)c1nnc(NC(=O)CCCl)s1
InChIInChI=1S/C5H7ClN4O3S2/c6-2-1-3(11)8-4-9-10-5(14-4)15(7,12)13/h1-2H2,(H2,7,12,13)(H,8,9,11)
InChIKeyXLWGIGRCWQCUAC-UHFFFAOYSA-N
MW270.72 g/mol
LogP-0.25
Rot. Bonds4

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

3-chloro-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 54476371) has the molecular formula C5H7ClN4O3S2 and a molecular weight of 270.72 g/mol. Its IUPAC name is 3-chloro-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-chloro-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID54476371
Molecular FormulaC5H7ClN4O3S2
Molecular Weight270.72 g/mol
Exact Mass269.96
IUPAC Name3-chloro-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESNS(=O)(=O)c1nnc(NC(=O)CCCl)s1
InChIInChI=1S/C5H7ClN4O3S2/c6-2-1-3(11)8-4-9-10-5(14-4)15(7,12)13/h1-2H2,(H2,7,12,13)(H,8,9,11)
InChIKeyXLWGIGRCWQCUAC-UHFFFAOYSA-N
XLogP-0.25
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)butanamide
CID 10015713
[2-oxo-2-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]ethyl]azanium bromide
CID 15041395
1-(2-chloroethyl)-3-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)urea
CID 3734828
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-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
N-[3-oxo-3-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]propyl]-2-propylpentanamide
CID 11760610
methyl N-[8-oxo-8-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]octyl]carbamate
CID 178065843
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

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of 3-chloro-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide (CID 54476371) is 3-chloro-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 3-chloro-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 3-chloro-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide is NS(=O)(=O)c1nnc(NC(=O)CCCl)s1.
What is the InChIKey of 3-chloro-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is XLWGIGRCWQCUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClN4O3S2/c6-2-1-3(11)8-4-9-10-5(14-4)15(7,12)13/h1-2H2,(H2,7,12,13)(H,8,9,11).
What are the key properties of 3-chloro-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide?
3-chloro-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 270.72 g/mol, XLogP of -0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 54476371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).