2-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]acetic acid

C6H9N3O4S2 — CID 107641511

IUPAC2-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]acetic acid
SMILESCCc1nnc(NS(=O)(=O)CC(=O)O)s1
InChIInChI=1S/C6H9N3O4S2/c1-2-4-7-8-6(14-4)9-15(12,13)3-5(10)11/h2-3H2,1H3,(H,8,9)(H,10,11)
InChIKeyNJGIUQVRCHBFRS-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.07
Rot. Bonds5

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

2-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]acetic acid (PubChem CID 107641511) has the molecular formula C6H9N3O4S2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]acetic acid
PubChem CID107641511
Molecular FormulaC6H9N3O4S2
Molecular Weight251.29 g/mol
Exact Mass251.00
IUPAC Name2-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]acetic acid
SMILESCCc1nnc(NS(=O)(=O)CC(=O)O)s1
InChIInChI=1S/C6H9N3O4S2/c1-2-4-7-8-6(14-4)9-15(12,13)3-5(10)11/h2-3H2,1H3,(H,8,9)(H,10,11)
InChIKeyNJGIUQVRCHBFRS-UHFFFAOYSA-N
XLogP-0.07
TPSA109.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-ethyl-1,3,4-thiadiazol-2-yl)ethanesulfonamide
CID 4165418
methyl 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]butanoate
CID 107641516
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-phenylethanesulfonamide
CID 75379098
3-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoylmethyl]benzoic acid
CID 107641494
3-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 19029493
1-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]piperidine-4-carboxylic acid
CID 107641504
N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-2,2,2-trifluoroacetamide
CID 1244336
4-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 25041652
4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]pentanoic acid
CID 107648177
4-chloro-3-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]benzoic acid
CID 107641501
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(hydroxymethyl)thiophene-3-sulfonamide
CID 106000129
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,2-dimethylpropanamide
CID 692810

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]acetic acid?
The IUPAC name of 2-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]acetic acid (CID 107641511) is 2-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]acetic acid.
What is the SMILES notation for 2-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]acetic acid?
The canonical SMILES for 2-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]acetic acid is CCc1nnc(NS(=O)(=O)CC(=O)O)s1.
What is the InChIKey of 2-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]acetic acid?
The InChIKey is NJGIUQVRCHBFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O4S2/c1-2-4-7-8-6(14-4)9-15(12,13)3-5(10)11/h2-3H2,1H3,(H,8,9)(H,10,11).
What are the key properties of 2-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]acetic acid?
2-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]acetic acid has a molecular weight of 251.29 g/mol, XLogP of -0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]acetic acid is sourced from PubChem (CID 107641511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).