2-(3,5-dioxo-1,2,4-triazolidin-4-yl)thiophene-3-carboxylic acid

C7H5N3O4S — CID 107409403

IUPAC2-(3,5-dioxo-1,2,4-triazolidin-4-yl)thiophene-3-carboxylic acid
SMILESO=C(O)c1ccsc1-n1c(=O)[nH][nH]c1=O
InChIInChI=1S/C7H5N3O4S/c11-5(12)3-1-2-15-4(3)10-6(13)8-9-7(10)14/h1-2H,(H,8,13)(H,9,14)(H,11,12)
InChIKeyFXCIWFBUTASLKI-UHFFFAOYSA-N
MW227.20 g/mol
LogP-0.39
Rot. Bonds2

About 2-(3,5-dioxo-1,2,4-triazolidin-4-yl)thiophene-3-carboxylic acid

2-(3,5-dioxo-1,2,4-triazolidin-4-yl)thiophene-3-carboxylic acid (PubChem CID 107409403) has the molecular formula C7H5N3O4S and a molecular weight of 227.20 g/mol. Its IUPAC name is 2-(3,5-dioxo-1,2,4-triazolidin-4-yl)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-(3,5-dioxo-1,2,4-triazolidin-4-yl)thiophene-3-carboxylic acid
PubChem CID107409403
Molecular FormulaC7H5N3O4S
Molecular Weight227.20 g/mol
Exact Mass227.00
IUPAC Name2-(3,5-dioxo-1,2,4-triazolidin-4-yl)thiophene-3-carboxylic acid
SMILESO=C(O)c1ccsc1-n1c(=O)[nH][nH]c1=O
InChIInChI=1S/C7H5N3O4S/c11-5(12)3-1-2-15-4(3)10-6(13)8-9-7(10)14/h1-2H,(H,8,13)(H,9,14)(H,11,12)
InChIKeyFXCIWFBUTASLKI-UHFFFAOYSA-N
XLogP-0.39
TPSA107.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.20
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-oxo-1H-1,2,4-triazol-4-yl)thiophene-3-carboxylic acid
CID 107410233
2-(3,5-dioxothiomorpholin-4-yl)thiophene-3-carboxylic acid
CID 104570369
2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)thiophene-3-carboxylic acid
CID 60790911
3-(methylcarbamoyl)thiophene-2-carboxylic acid
CID 129267233
2-propylthiophene-3-carboxylic acid
CID 131595068
bis(2-methylthiophen-3-yl)methanone
CID 101441488
2-boronothiophene-3-carboxylic acid
CID 2794616
3-acetylthiophene-2-carboxylic acid
CID 818927
[4-[2-(2,5-dimethylpyrrol-1-yl)thiophene-3-carbonyl]piperazin-1-yl]-phenylmethanone
CID 9462360
2-(2,5-dimethylpyrrol-1-yl)-N-(2-hydroxyethyl)thiophene-3-carboxamide
CID 78838245
2-(1-amino-2-methylpropyl)thiophene-3-carboxylic acid
CID 154602976
2-aminothiophene-3-carboxylic acid;cyclohexane
CID 22053869

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dioxo-1,2,4-triazolidin-4-yl)thiophene-3-carboxylic acid?
The IUPAC name of 2-(3,5-dioxo-1,2,4-triazolidin-4-yl)thiophene-3-carboxylic acid (CID 107409403) is 2-(3,5-dioxo-1,2,4-triazolidin-4-yl)thiophene-3-carboxylic acid.
What is the SMILES notation for 2-(3,5-dioxo-1,2,4-triazolidin-4-yl)thiophene-3-carboxylic acid?
The canonical SMILES for 2-(3,5-dioxo-1,2,4-triazolidin-4-yl)thiophene-3-carboxylic acid is O=C(O)c1ccsc1-n1c(=O)[nH][nH]c1=O.
What is the InChIKey of 2-(3,5-dioxo-1,2,4-triazolidin-4-yl)thiophene-3-carboxylic acid?
The InChIKey is FXCIWFBUTASLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O4S/c11-5(12)3-1-2-15-4(3)10-6(13)8-9-7(10)14/h1-2H,(H,8,13)(H,9,14)(H,11,12).
What are the key properties of 2-(3,5-dioxo-1,2,4-triazolidin-4-yl)thiophene-3-carboxylic acid?
2-(3,5-dioxo-1,2,4-triazolidin-4-yl)thiophene-3-carboxylic acid has a molecular weight of 227.20 g/mol, XLogP of -0.39, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dioxo-1,2,4-triazolidin-4-yl)thiophene-3-carboxylic acid is sourced from PubChem (CID 107409403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).