2-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]butanedioic acid

C6H8N4O6S2 — CID 71341876

IUPAC2-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]butanedioic acid
SMILESNS(=O)(=O)c1nnc(NC(CC(=O)O)C(=O)O)s1
InChIInChI=1S/C6H8N4O6S2/c7-18(15,16)6-10-9-5(17-6)8-2(4(13)14)1-3(11)12/h2H,1H2,(H,8,9)(H,11,12)(H,13,14)(H2,7,15,16)
InChIKeyHWJDPPYLWOQIAL-UHFFFAOYSA-N
MW296.29 g/mol
LogP-1.47
Rot. Bonds6

About 2-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]butanedioic acid

2-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]butanedioic acid (PubChem CID 71341876) has the molecular formula C6H8N4O6S2 and a molecular weight of 296.29 g/mol. Its IUPAC name is 2-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]butanedioic acid.

Molecular Properties

Compound Name2-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]butanedioic acid
PubChem CID71341876
Molecular FormulaC6H8N4O6S2
Molecular Weight296.29 g/mol
Exact Mass295.99
IUPAC Name2-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]butanedioic acid
SMILESNS(=O)(=O)c1nnc(NC(CC(=O)O)C(=O)O)s1
InChIInChI=1S/C6H8N4O6S2/c7-18(15,16)6-10-9-5(17-6)8-2(4(13)14)1-3(11)12/h2H,1H2,(H,8,9)(H,11,12)(H,13,14)(H2,7,15,16)
InChIKeyHWJDPPYLWOQIAL-UHFFFAOYSA-N
XLogP-1.47
TPSA172.57 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 5-1.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

[2-oxo-2-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]ethyl]azanium bromide
CID 15041395
(2S)-2-amino-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide;hydrobromide
CID 18642236
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-(sulfamoylamino)butanedioic acid
CID 114958995
2-[2-[[2-oxo-2-[[(2S)-1-oxo-3-phenyl-1-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]propan-2-yl]amino]ethyl]amino]ethylamino]acetic acid
CID 70828588
1-(2-chloroethyl)-3-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)urea
CID 3734828
(3S)-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(1R)-2-(2-carbamoyloxyethyldisulfanyl)-1-carboxyethyl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-oxo-3-[6-[[4-oxo-4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]butanoyl]amino]hexanoylamino]butanoic acid
CID 138484516
N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-3-(trifluoromethylsulfonylamino)propanamide
CID 10833817
N-[3-oxo-3-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]propyl]-2-propylpentanamide
CID 11760610
5-amino-1,3,4-thiadiazole-2-sulfonamide;4-oxo-5-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)pentanoic acid
CID 159473324
2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]pentanoic acid
CID 122060590

Frequently Asked Questions

What is the IUPAC name of 2-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]butanedioic acid?
The IUPAC name of 2-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]butanedioic acid (CID 71341876) is 2-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]butanedioic acid.
What is the SMILES notation for 2-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]butanedioic acid?
The canonical SMILES for 2-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]butanedioic acid is NS(=O)(=O)c1nnc(NC(CC(=O)O)C(=O)O)s1.
What is the InChIKey of 2-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]butanedioic acid?
The InChIKey is HWJDPPYLWOQIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O6S2/c7-18(15,16)6-10-9-5(17-6)8-2(4(13)14)1-3(11)12/h2H,1H2,(H,8,9)(H,11,12)(H,13,14)(H2,7,15,16).
What are the key properties of 2-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]butanedioic acid?
2-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]butanedioic acid has a molecular weight of 296.29 g/mol, XLogP of -1.47, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]butanedioic acid is sourced from PubChem (CID 71341876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).