2-(5-anilino-2,4-dioxo-1,3-thiazolidin-3-yl)acetic acid

C11H10N2O4S — CID 2771083

IUPAC2-(5-anilino-2,4-dioxo-1,3-thiazolidin-3-yl)acetic acid
SMILESO=C(O)CN1C(=O)SC(Nc2ccccc2)C1=O
InChIInChI=1S/C11H10N2O4S/c14-8(15)6-13-10(16)9(18-11(13)17)12-7-4-2-1-3-5-7/h1-5,9,12H,6H2,(H,14,15)
InChIKeyTXUWWXHCSHTZLG-UHFFFAOYSA-N
MW266.28 g/mol
LogP1.20
Rot. Bonds4

About 2-(5-anilino-2,4-dioxo-1,3-thiazolidin-3-yl)acetic acid

2-(5-anilino-2,4-dioxo-1,3-thiazolidin-3-yl)acetic acid (PubChem CID 2771083) has the molecular formula C11H10N2O4S and a molecular weight of 266.28 g/mol. Its IUPAC name is 2-(5-anilino-2,4-dioxo-1,3-thiazolidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(5-anilino-2,4-dioxo-1,3-thiazolidin-3-yl)acetic acid
PubChem CID2771083
Molecular FormulaC11H10N2O4S
Molecular Weight266.28 g/mol
Exact Mass266.04
IUPAC Name2-(5-anilino-2,4-dioxo-1,3-thiazolidin-3-yl)acetic acid
SMILESO=C(O)CN1C(=O)SC(Nc2ccccc2)C1=O
InChIInChI=1S/C11H10N2O4S/c14-8(15)6-13-10(16)9(18-11(13)17)12-7-4-2-1-3-5-7/h1-5,9,12H,6H2,(H,14,15)
InChIKeyTXUWWXHCSHTZLG-UHFFFAOYSA-N
XLogP1.20
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-anilino-2,4-dioxo-1,3-thiazolidin-3-yl)acetic acid?
The IUPAC name of 2-(5-anilino-2,4-dioxo-1,3-thiazolidin-3-yl)acetic acid (CID 2771083) is 2-(5-anilino-2,4-dioxo-1,3-thiazolidin-3-yl)acetic acid.
What is the SMILES notation for 2-(5-anilino-2,4-dioxo-1,3-thiazolidin-3-yl)acetic acid?
The canonical SMILES for 2-(5-anilino-2,4-dioxo-1,3-thiazolidin-3-yl)acetic acid is O=C(O)CN1C(=O)SC(Nc2ccccc2)C1=O.
What is the InChIKey of 2-(5-anilino-2,4-dioxo-1,3-thiazolidin-3-yl)acetic acid?
The InChIKey is TXUWWXHCSHTZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4S/c14-8(15)6-13-10(16)9(18-11(13)17)12-7-4-2-1-3-5-7/h1-5,9,12H,6H2,(H,14,15).
What are the key properties of 2-(5-anilino-2,4-dioxo-1,3-thiazolidin-3-yl)acetic acid?
2-(5-anilino-2,4-dioxo-1,3-thiazolidin-3-yl)acetic acid has a molecular weight of 266.28 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-anilino-2,4-dioxo-1,3-thiazolidin-3-yl)acetic acid is sourced from PubChem (CID 2771083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).