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

C11H10N2O4S — CID 661101

IUPAC2-(N-(2,4-dioxo-1,3-thiazolidin-5-yl)anilino)acetic acid
SMILESO=C(O)CN(c1ccccc1)C1SC(=O)NC1=O
InChIInChI=1S/C11H10N2O4S/c14-8(15)6-13(7-4-2-1-3-5-7)10-9(16)12-11(17)18-10/h1-5,10H,6H2,(H,14,15)(H,12,16,17)
InChIKeyUKTWOSAHVBWMEA-UHFFFAOYSA-N
MW266.28 g/mol
LogP0.89
Rot. Bonds4

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

2-(N-(2,4-dioxo-1,3-thiazolidin-5-yl)anilino)acetic acid (PubChem CID 661101) has the molecular formula C11H10N2O4S and a molecular weight of 266.28 g/mol. Its IUPAC name is 2-(N-(2,4-dioxo-1,3-thiazolidin-5-yl)anilino)acetic acid.

Molecular Properties

Compound Name2-(N-(2,4-dioxo-1,3-thiazolidin-5-yl)anilino)acetic acid
PubChem CID661101
Molecular FormulaC11H10N2O4S
Molecular Weight266.28 g/mol
Exact Mass266.04
IUPAC Name2-(N-(2,4-dioxo-1,3-thiazolidin-5-yl)anilino)acetic acid
SMILESO=C(O)CN(c1ccccc1)C1SC(=O)NC1=O
InChIInChI=1S/C11H10N2O4S/c14-8(15)6-13(7-4-2-1-3-5-7)10-9(16)12-11(17)18-10/h1-5,10H,6H2,(H,14,15)(H,12,16,17)
InChIKeyUKTWOSAHVBWMEA-UHFFFAOYSA-N
XLogP0.89
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 ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 2-(3-(((3-fluorophenyl)carbamoyl)methyl)-4-oxo-1,3-thiazolidin-2-ylidene)acetate
CID 2435457
2-(2,4-dioxo-3-thiazolidinyl)-N-(2,3,4-trifluorophenyl)acetamide
CID 648553
N-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)glycine
CID 658714
{5-[(4-Methylphenyl)amino]-2,4-dioxo-1,3-thiazolidin-3-yl}acetic acid
CID 2771084
2-[(2,4-Dioxo-thiazolidin-5-yl)-p-tolyl-amino]-acetamide
CID 2998472
2-[(2,4-Dioxo-thiazolidin-5-yl)-m-tolyl-amino]-acetamide
CID 3155756
3-Methyl-5-(phenylamino)-1,3-thiazolidine-2,4-dione
CID 3155772
N-(3-methylphenyl)-N-[3-(3-methylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]glycine
CID 4324010
2-(5-((4-Chlorophenyl)amino)-2,4-dioxothiazolidin-3-yl)acetic acid
CID 4891684
(2R)-2-acetamido-3-[(4-fluorophenyl)carbamoylsulfanyl]propanoic acid
CID 53324468
5-(Ethylanilino)-1,3-thiazolidine-2,4-dione
CID 2864127
5-(Methylanilino)-1,3-thiazolidine-2,4-dione
CID 3119527

Frequently Asked Questions

What is the IUPAC name of 2-(N-(2,4-dioxo-1,3-thiazolidin-5-yl)anilino)acetic acid?
The IUPAC name of 2-(N-(2,4-dioxo-1,3-thiazolidin-5-yl)anilino)acetic acid (CID 661101) is 2-(N-(2,4-dioxo-1,3-thiazolidin-5-yl)anilino)acetic acid.
What is the SMILES notation for 2-(N-(2,4-dioxo-1,3-thiazolidin-5-yl)anilino)acetic acid?
The canonical SMILES for 2-(N-(2,4-dioxo-1,3-thiazolidin-5-yl)anilino)acetic acid is O=C(O)CN(c1ccccc1)C1SC(=O)NC1=O.
What is the InChIKey of 2-(N-(2,4-dioxo-1,3-thiazolidin-5-yl)anilino)acetic acid?
The InChIKey is UKTWOSAHVBWMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4S/c14-8(15)6-13(7-4-2-1-3-5-7)10-9(16)12-11(17)18-10/h1-5,10H,6H2,(H,14,15)(H,12,16,17).
What are the key properties of 2-(N-(2,4-dioxo-1,3-thiazolidin-5-yl)anilino)acetic acid?
2-(N-(2,4-dioxo-1,3-thiazolidin-5-yl)anilino)acetic acid has a molecular weight of 266.28 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(2,4-dioxo-1,3-thiazolidin-5-yl)anilino)acetic acid is sourced from PubChem (CID 661101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).