4-(2-nitrophenyl)-1,3-thiazolidine-2-carboxylic acid

C10H10N2O4S — CID 71651869

IUPAC4-(2-nitrophenyl)-1,3-thiazolidine-2-carboxylic acid
SMILESO=C(O)C1NC(c2ccccc2[N+](=O)[O-])CS1
InChIInChI=1S/C10H10N2O4S/c13-10(14)9-11-7(5-17-9)6-3-1-2-4-8(6)12(15)16/h1-4,7,9,11H,5H2,(H,13,14)
InChIKeyXSUDFCCNTACKEZ-UHFFFAOYSA-N
MW254.27 g/mol
LogP1.38
Rot. Bonds3

About 4-(2-nitrophenyl)-1,3-thiazolidine-2-carboxylic acid

4-(2-nitrophenyl)-1,3-thiazolidine-2-carboxylic acid (PubChem CID 71651869) has the molecular formula C10H10N2O4S and a molecular weight of 254.27 g/mol. Its IUPAC name is 4-(2-nitrophenyl)-1,3-thiazolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-(2-nitrophenyl)-1,3-thiazolidine-2-carboxylic acid
PubChem CID71651869
Molecular FormulaC10H10N2O4S
Molecular Weight254.27 g/mol
Exact Mass254.04
IUPAC Name4-(2-nitrophenyl)-1,3-thiazolidine-2-carboxylic acid
SMILESO=C(O)C1NC(c2ccccc2[N+](=O)[O-])CS1
InChIInChI=1S/C10H10N2O4S/c13-10(14)9-11-7(5-17-9)6-3-1-2-4-8(6)12(15)16/h1-4,7,9,11H,5H2,(H,13,14)
InChIKeyXSUDFCCNTACKEZ-UHFFFAOYSA-N
XLogP1.38
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.27
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(2-nitrophenyl)piperidine;hydrochloride
CID 171195300
6-(2-nitrophenyl)-1,3-diazinane-2,4-dione
CID 3883733
[(2R,3S)-3-(2-nitrophenyl)aziridin-2-yl]-phenylmethanone
CID 21231311
(4S)-4-(2-nitrophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171183708
ethyl (2S,4R)-2-(2-nitrophenyl)-1,3-thiazolidine-4-carboxylate
CID 98000702
(2R,4S)-4-(3-methylphenyl)-1,3-thiazolidine-2-carboxylic acid
CID 93020089
(4R)-4-(2-nitrophenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171184830
methyl 6-methyl-2,4-bis(2-nitrophenyl)-1,2,3,4-tetrahydropyridine-5-carboxylate
CID 14833444
2-(2-nitrophenyl)cyclohexan-1-ol
CID 82242231
1-[4-(2-nitrophenyl)cyclohexyl]ethanone
CID 66545564
3-(2-nitrophenyl)morpholine
CID 69296490
(3S)-3-(2-nitrophenyl)morpholine
CID 97291213

Frequently Asked Questions

What is the IUPAC name of 4-(2-nitrophenyl)-1,3-thiazolidine-2-carboxylic acid?
The IUPAC name of 4-(2-nitrophenyl)-1,3-thiazolidine-2-carboxylic acid (CID 71651869) is 4-(2-nitrophenyl)-1,3-thiazolidine-2-carboxylic acid.
What is the SMILES notation for 4-(2-nitrophenyl)-1,3-thiazolidine-2-carboxylic acid?
The canonical SMILES for 4-(2-nitrophenyl)-1,3-thiazolidine-2-carboxylic acid is O=C(O)C1NC(c2ccccc2[N+](=O)[O-])CS1.
What is the InChIKey of 4-(2-nitrophenyl)-1,3-thiazolidine-2-carboxylic acid?
The InChIKey is XSUDFCCNTACKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O4S/c13-10(14)9-11-7(5-17-9)6-3-1-2-4-8(6)12(15)16/h1-4,7,9,11H,5H2,(H,13,14).
What are the key properties of 4-(2-nitrophenyl)-1,3-thiazolidine-2-carboxylic acid?
4-(2-nitrophenyl)-1,3-thiazolidine-2-carboxylic acid has a molecular weight of 254.27 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-nitrophenyl)-1,3-thiazolidine-2-carboxylic acid is sourced from PubChem (CID 71651869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).