2-[[2-(2,4-dioxo-1,3-thiazolidin-5-yl)acetyl]amino]-5-hydroxybenzoic acid

C12H10N2O6S — CID 4970447

IUPAC2-[[2-(2,4-dioxo-1,3-thiazolidin-5-yl)acetyl]amino]-5-hydroxybenzoic acid
SMILESO=C(CC1SC(=O)NC1=O)Nc1ccc(O)cc1C(=O)O
InChIInChI=1S/C12H10N2O6S/c15-5-1-2-7(6(3-5)11(18)19)13-9(16)4-8-10(17)14-12(20)21-8/h1-3,8,15H,4H2,(H,13,16)(H,18,19)(H,14,17,20)
InChIKeyBYRZLSQEYQPUKJ-UHFFFAOYSA-N
MW310.29 g/mol
LogP0.77
Rot. Bonds4

About 2-[[2-(2,4-dioxo-1,3-thiazolidin-5-yl)acetyl]amino]-5-hydroxybenzoic acid

2-[[2-(2,4-dioxo-1,3-thiazolidin-5-yl)acetyl]amino]-5-hydroxybenzoic acid (PubChem CID 4970447) has the molecular formula C12H10N2O6S and a molecular weight of 310.29 g/mol. Its IUPAC name is 2-[[2-(2,4-dioxo-1,3-thiazolidin-5-yl)acetyl]amino]-5-hydroxybenzoic acid.

Molecular Properties

Compound Name2-[[2-(2,4-dioxo-1,3-thiazolidin-5-yl)acetyl]amino]-5-hydroxybenzoic acid
PubChem CID4970447
Molecular FormulaC12H10N2O6S
Molecular Weight310.29 g/mol
Exact Mass310.03
IUPAC Name2-[[2-(2,4-dioxo-1,3-thiazolidin-5-yl)acetyl]amino]-5-hydroxybenzoic acid
SMILESO=C(CC1SC(=O)NC1=O)Nc1ccc(O)cc1C(=O)O
InChIInChI=1S/C12H10N2O6S/c15-5-1-2-7(6(3-5)11(18)19)13-9(16)4-8-10(17)14-12(20)21-8/h1-3,8,15H,4H2,(H,13,16)(H,18,19)(H,14,17,20)
InChIKeyBYRZLSQEYQPUKJ-UHFFFAOYSA-N
XLogP0.77
TPSA132.80 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.29
LogP ≤ 50.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(2-hydroxyphenyl)acetamide
CID 1213000
2-[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-(3-hydroxyphenyl)acetamide
CID 7066089
2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]-N-[4-[[2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]acetyl]amino]phenyl]acetamide
CID 2135569
2-[[2-[3-(2-ethylphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetyl]amino]-5-hydroxybenzoic acid
CID 43864016
5-hydroxy-2-[[2-[3-(3-methoxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-yl]acetyl]amino]benzoic acid
CID 43863900
2-(2,4-dioxo-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide
CID 2888220
N'-[2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]acetyl]benzohydrazide
CID 27350767
2-[[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]-N-phenylbenzamide
CID 51134753
5-hydroxy-2-[[2-(methylamino)acetyl]amino]benzoic acid
CID 61405958
4-[[2-[(5R)-2,4-dioxo-1,3-thiazolidin-5-yl]acetyl]amino]benzoate
CID 6982475
5-hydroxy-2-[(2-methoxyacetyl)amino]benzoic acid
CID 61405856
2-(6-aminohexanoylamino)-5-hydroxybenzoic acid
CID 61405789

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,4-dioxo-1,3-thiazolidin-5-yl)acetyl]amino]-5-hydroxybenzoic acid?
The IUPAC name of 2-[[2-(2,4-dioxo-1,3-thiazolidin-5-yl)acetyl]amino]-5-hydroxybenzoic acid (CID 4970447) is 2-[[2-(2,4-dioxo-1,3-thiazolidin-5-yl)acetyl]amino]-5-hydroxybenzoic acid.
What is the SMILES notation for 2-[[2-(2,4-dioxo-1,3-thiazolidin-5-yl)acetyl]amino]-5-hydroxybenzoic acid?
The canonical SMILES for 2-[[2-(2,4-dioxo-1,3-thiazolidin-5-yl)acetyl]amino]-5-hydroxybenzoic acid is O=C(CC1SC(=O)NC1=O)Nc1ccc(O)cc1C(=O)O.
What is the InChIKey of 2-[[2-(2,4-dioxo-1,3-thiazolidin-5-yl)acetyl]amino]-5-hydroxybenzoic acid?
The InChIKey is BYRZLSQEYQPUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O6S/c15-5-1-2-7(6(3-5)11(18)19)13-9(16)4-8-10(17)14-12(20)21-8/h1-3,8,15H,4H2,(H,13,16)(H,18,19)(H,14,17,20).
What are the key properties of 2-[[2-(2,4-dioxo-1,3-thiazolidin-5-yl)acetyl]amino]-5-hydroxybenzoic acid?
2-[[2-(2,4-dioxo-1,3-thiazolidin-5-yl)acetyl]amino]-5-hydroxybenzoic acid has a molecular weight of 310.29 g/mol, XLogP of 0.77, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,4-dioxo-1,3-thiazolidin-5-yl)acetyl]amino]-5-hydroxybenzoic acid is sourced from PubChem (CID 4970447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).