2-[[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoacetic acid

C7H9N3O4S — CID 56920152

IUPAC2-[[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoacetic acid
SMILESCCOCc1nnc(NC(=O)C(=O)O)s1
InChIInChI=1S/C7H9N3O4S/c1-2-14-3-4-9-10-7(15-4)8-5(11)6(12)13/h2-3H2,1H3,(H,12,13)(H,8,10,11)
InChIKeyGQQPLPFGGNNARJ-UHFFFAOYSA-N
MW231.23 g/mol
LogP0.10
Rot. Bonds4

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

2-[[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoacetic acid (PubChem CID 56920152) has the molecular formula C7H9N3O4S and a molecular weight of 231.23 g/mol. Its IUPAC name is 2-[[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoacetic acid
PubChem CID56920152
Molecular FormulaC7H9N3O4S
Molecular Weight231.23 g/mol
Exact Mass231.03
IUPAC Name2-[[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoacetic acid
SMILESCCOCc1nnc(NC(=O)C(=O)O)s1
InChIInChI=1S/C7H9N3O4S/c1-2-14-3-4-9-10-7(15-4)8-5(11)6(12)13/h2-3H2,1H3,(H,12,13)(H,8,10,11)
InChIKeyGQQPLPFGGNNARJ-UHFFFAOYSA-N
XLogP0.10
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoacetate
CID 3158223
(2S)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-2-phenoxybutanamide
CID 7263150
(2S)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-2-phenylsulfanylacetamide
CID 2202699
(2R)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-2-phenylsulfanylacetamide
CID 2202698
5-acetyl-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]thiophene-3-carboxamide
CID 46964256
4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 107641479
N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-2-(4-methylphenyl)sulfonylacetamide
CID 6493240
N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methoxypyridine-4-carboxamide
CID 16673376
(3S)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 9401919
N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 6501018
2-(2,4-dichlorophenoxy)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 3158232
ethyl N-(5-butyl-1,3,4-thiadiazol-2-yl)carbamate
CID 121088928

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoacetic acid?
The IUPAC name of 2-[[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoacetic acid (CID 56920152) is 2-[[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoacetic acid.
What is the SMILES notation for 2-[[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoacetic acid?
The canonical SMILES for 2-[[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoacetic acid is CCOCc1nnc(NC(=O)C(=O)O)s1.
What is the InChIKey of 2-[[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoacetic acid?
The InChIKey is GQQPLPFGGNNARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O4S/c1-2-14-3-4-9-10-7(15-4)8-5(11)6(12)13/h2-3H2,1H3,(H,12,13)(H,8,10,11).
What are the key properties of 2-[[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoacetic acid?
2-[[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoacetic acid has a molecular weight of 231.23 g/mol, XLogP of 0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoacetic acid is sourced from PubChem (CID 56920152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).