(2R,4S)-2-[4-(furan-2-carbonyloxy)phenyl]-1,3-thiazolidine-4-carboxylic acid

C15H13NO5S — CID 7045930

IUPAC(2R,4S)-2-[4-(furan-2-carbonyloxy)phenyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(Oc1ccc([C@@H]2N[C@@H](C(=O)O)CS2)cc1)c1ccco1
InChIInChI=1S/C15H13NO5S/c17-14(18)11-8-22-13(16-11)9-3-5-10(6-4-9)21-15(19)12-2-1-7-20-12/h1-7,11,13,16H,8H2,(H,17,18)/t11-,13-/m1/s1
InChIKeyKMZOGWVAUXDYSK-DGCLKSJQSA-N
MW319.34 g/mol
LogP2.29
Rot. Bonds4

About (2R,4S)-2-[4-(furan-2-carbonyloxy)phenyl]-1,3-thiazolidine-4-carboxylic acid

(2R,4S)-2-[4-(furan-2-carbonyloxy)phenyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 7045930) has the molecular formula C15H13NO5S and a molecular weight of 319.34 g/mol. Its IUPAC name is (2R,4S)-2-[4-(furan-2-carbonyloxy)phenyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(2R,4S)-2-[4-(furan-2-carbonyloxy)phenyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID7045930
Molecular FormulaC15H13NO5S
Molecular Weight319.34 g/mol
Exact Mass319.05
IUPAC Name(2R,4S)-2-[4-(furan-2-carbonyloxy)phenyl]-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(Oc1ccc([C@@H]2N[C@@H](C(=O)O)CS2)cc1)c1ccco1
InChIInChI=1S/C15H13NO5S/c17-14(18)11-8-22-13(16-11)9-3-5-10(6-4-9)21-15(19)12-2-1-7-20-12/h1-7,11,13,16H,8H2,(H,17,18)/t11-,13-/m1/s1
InChIKeyKMZOGWVAUXDYSK-DGCLKSJQSA-N
XLogP2.29
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2S,4S)-2-[4-(1,3-benzodioxole-5-carbonyloxy)phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 7280950
(2S,4S)-2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-1,3-thiazolidine-4-carboxylic acid
CID 1044848
(2R,4S)-2-(3-chlorophenyl)-1,3-thiazolidine-4-carboxylic acid
CID 40649091
methyl (4R)-4-[4-(furan-2-carbonyloxy)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 979616
(2R,4S)-2-(3-hydroxy-4-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 854335
(2S,4S)-2-(4-hydroxy-3-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 721363
(4-propan-2-ylphenyl) furan-2-carboxylate
CID 723691
[4-(2,5-dioxopyrrolidin-1-yl)phenyl] furan-2-carboxylate
CID 929919
(2R,4R)-2-(2,3-dihydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 686230
2-(1,3-oxazol-5-yl)-1,3-thiazolidine-4-carboxylic acid
CID 68806943
[3-bromo-4-(furan-2-carbonyloxy)phenyl] furan-2-carboxylate
CID 1097530
2-(2-methylphenyl)-1,3-thiazolidine-4-carboxylic acid
CID 2732724

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2-[4-(furan-2-carbonyloxy)phenyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (2R,4S)-2-[4-(furan-2-carbonyloxy)phenyl]-1,3-thiazolidine-4-carboxylic acid (CID 7045930) is (2R,4S)-2-[4-(furan-2-carbonyloxy)phenyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (2R,4S)-2-[4-(furan-2-carbonyloxy)phenyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (2R,4S)-2-[4-(furan-2-carbonyloxy)phenyl]-1,3-thiazolidine-4-carboxylic acid is O=C(Oc1ccc([C@@H]2N[C@@H](C(=O)O)CS2)cc1)c1ccco1.
What is the InChIKey of (2R,4S)-2-[4-(furan-2-carbonyloxy)phenyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is KMZOGWVAUXDYSK-DGCLKSJQSA-N. The full InChI is InChI=1S/C15H13NO5S/c17-14(18)11-8-22-13(16-11)9-3-5-10(6-4-9)21-15(19)12-2-1-7-20-12/h1-7,11,13,16H,8H2,(H,17,18)/t11-,13-/m1/s1.
What are the key properties of (2R,4S)-2-[4-(furan-2-carbonyloxy)phenyl]-1,3-thiazolidine-4-carboxylic acid?
(2R,4S)-2-[4-(furan-2-carbonyloxy)phenyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 319.34 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-[4-(furan-2-carbonyloxy)phenyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 7045930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).