2-(1,3,4-thiadiazol-2-ylsulfamoyl)propanoic acid

C5H7N3O4S2 — CID 61454442

IUPAC2-(1,3,4-thiadiazol-2-ylsulfamoyl)propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)Nc1nncs1
InChIInChI=1S/C5H7N3O4S2/c1-3(4(9)10)14(11,12)8-5-7-6-2-13-5/h2-3H,1H3,(H,7,8)(H,9,10)
InChIKeyVYHZMNULXXZDDK-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.25
Rot. Bonds4

About 2-(1,3,4-thiadiazol-2-ylsulfamoyl)propanoic acid

2-(1,3,4-thiadiazol-2-ylsulfamoyl)propanoic acid (PubChem CID 61454442) has the molecular formula C5H7N3O4S2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-(1,3,4-thiadiazol-2-ylsulfamoyl)propanoic acid.

Molecular Properties

Compound Name2-(1,3,4-thiadiazol-2-ylsulfamoyl)propanoic acid
PubChem CID61454442
Molecular FormulaC5H7N3O4S2
Molecular Weight237.26 g/mol
Exact Mass236.99
IUPAC Name2-(1,3,4-thiadiazol-2-ylsulfamoyl)propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)Nc1nncs1
InChIInChI=1S/C5H7N3O4S2/c1-3(4(9)10)14(11,12)8-5-7-6-2-13-5/h2-3H,1H3,(H,7,8)(H,9,10)
InChIKeyVYHZMNULXXZDDK-UHFFFAOYSA-N
XLogP-0.25
TPSA109.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)propanoic acid
CID 78972625
2-(pyridin-4-ylsulfamoyl)propanoic acid
CID 61454432
2-methyl-4-(1,3,4-thiadiazol-2-ylcarbamoylamino)butanoic acid
CID 80540120
4-methyl-N-(1,3,4-thiadiazol-2-yl)pentanamide
CID 44791054
(2S)-3,3-dimethyl-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)butanoic acid
CID 61193385
2-[(6-chloro-1,3-benzothiazol-2-yl)sulfamoyl]propanoic acid
CID 61454607
4-[2-(propan-2-ylamino)ethyl]-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 106081200
5-(1,3,4-thiadiazol-2-ylsulfamoyl)thiophene-3-carboxylic acid
CID 28556428
2-[(4-methyl-1H-pyrazol-5-yl)sulfamoyl]propanoic acid
CID 104617610
(2S)-2-ethyl-5-oxo-5-(1,3,4-thiadiazol-2-ylamino)pentanoic acid
CID 750504
3-methyl-2-[(1,3,4-thiadiazol-2-ylcarbamoylamino)methyl]butanoic acid
CID 65217758
(2S)-2-amino-4-methyl-N-(1,3,4-thiadiazol-2-yl)pentanamide
CID 13145508

Frequently Asked Questions

What is the IUPAC name of 2-(1,3,4-thiadiazol-2-ylsulfamoyl)propanoic acid?
The IUPAC name of 2-(1,3,4-thiadiazol-2-ylsulfamoyl)propanoic acid (CID 61454442) is 2-(1,3,4-thiadiazol-2-ylsulfamoyl)propanoic acid.
What is the SMILES notation for 2-(1,3,4-thiadiazol-2-ylsulfamoyl)propanoic acid?
The canonical SMILES for 2-(1,3,4-thiadiazol-2-ylsulfamoyl)propanoic acid is CC(C(=O)O)S(=O)(=O)Nc1nncs1.
What is the InChIKey of 2-(1,3,4-thiadiazol-2-ylsulfamoyl)propanoic acid?
The InChIKey is VYHZMNULXXZDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O4S2/c1-3(4(9)10)14(11,12)8-5-7-6-2-13-5/h2-3H,1H3,(H,7,8)(H,9,10).
What are the key properties of 2-(1,3,4-thiadiazol-2-ylsulfamoyl)propanoic acid?
2-(1,3,4-thiadiazol-2-ylsulfamoyl)propanoic acid has a molecular weight of 237.26 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 2-(1,3,4-thiadiazol-2-ylsulfamoyl)propanoic acid is sourced from PubChem (CID 61454442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).