3-formyl-2-phenyl-1,3-thiazolidine-4-carboxylic acid

C11H11NO3S — CID 85431501

IUPAC3-formyl-2-phenyl-1,3-thiazolidine-4-carboxylic acid
SMILESO=CN1C(C(=O)O)CSC1c1ccccc1
InChIInChI=1S/C11H11NO3S/c13-7-12-9(11(14)15)6-16-10(12)8-4-2-1-3-5-8/h1-5,7,9-10H,6H2,(H,14,15)
InChIKeyGDBZUXUMQQTXAD-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.34
Rot. Bonds3

About 3-formyl-2-phenyl-1,3-thiazolidine-4-carboxylic acid

3-formyl-2-phenyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 85431501) has the molecular formula C11H11NO3S and a molecular weight of 237.28 g/mol. Its IUPAC name is 3-formyl-2-phenyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-formyl-2-phenyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID85431501
Molecular FormulaC11H11NO3S
Molecular Weight237.28 g/mol
Exact Mass237.05
IUPAC Name3-formyl-2-phenyl-1,3-thiazolidine-4-carboxylic acid
SMILESO=CN1C(C(=O)O)CSC1c1ccccc1
InChIInChI=1S/C11H11NO3S/c13-7-12-9(11(14)15)6-16-10(12)8-4-2-1-3-5-8/h1-5,7,9-10H,6H2,(H,14,15)
InChIKeyGDBZUXUMQQTXAD-UHFFFAOYSA-N
XLogP1.34
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R,4R)-3-acetyl-2-phenyl-1,3-thiazolidine-4-carboxylic acid
CID 759136
3-(2,2-diphenylacetyl)-2-phenyl-1,3-thiazolidine-4-carboxylic acid
CID 42728478
(2R,4R)-3-(4-bromobenzoyl)-2-phenyl-1,3-thiazolidine-4-carboxylic acid
CID 93033477
3-acetyl-2-(2-deuteriophenyl)-1,3-thiazolidine-4-carboxylic acid
CID 139903120
3-(3-cyclopentylpropanoyl)-2-phenyl-1,3-thiazolidine-4-carboxylic acid
CID 42728472
3-(4-hydroxy-4-phenyl-3-sulfanylidenebutanoyl)-2-phenyl-1,3-thiazolidine-4-carboxylic acid
CID 57225942
(3S,9bR)-5-oxo-3,9b-dihydro-2H-[1,3]thiazolo[2,3-a]isoindole-3-carboxylic acid
CID 816141
(2R)-2-(1-oxidopyridin-1-ium-4-yl)-1,3-thiazolidine-3,4-dicarboxylic acid
CID 91242899
(2R,4R)-3-tert-butyl-2-(4-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid
CID 141184962
3-benzyl-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 141031782
3-(4-butoxybenzoyl)-2-phenyl-1,3-thiazolidine-4-carboxylic acid
CID 42728488
(4R)-2-phenyl-3-[2-(phenylmethoxycarbonylamino)acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 70156663

Frequently Asked Questions

What is the IUPAC name of 3-formyl-2-phenyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-formyl-2-phenyl-1,3-thiazolidine-4-carboxylic acid (CID 85431501) is 3-formyl-2-phenyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-formyl-2-phenyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-formyl-2-phenyl-1,3-thiazolidine-4-carboxylic acid is O=CN1C(C(=O)O)CSC1c1ccccc1.
What is the InChIKey of 3-formyl-2-phenyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is GDBZUXUMQQTXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3S/c13-7-12-9(11(14)15)6-16-10(12)8-4-2-1-3-5-8/h1-5,7,9-10H,6H2,(H,14,15).
What are the key properties of 3-formyl-2-phenyl-1,3-thiazolidine-4-carboxylic acid?
3-formyl-2-phenyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 237.28 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-formyl-2-phenyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 85431501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).