(2R,4R)-N-hydroxy-2-(2-hydroxyphenyl)-3-(3-sulfanylpropanoyl)-1,3-thiazolidine-4-carboxamide

C13H16N2O4S2 — CID 13066729

IUPAC(2R,4R)-N-hydroxy-2-(2-hydroxyphenyl)-3-(3-sulfanylpropanoyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(NO)[C@@H]1CS[C@H](c2ccccc2O)N1C(=O)CCS
InChIInChI=1S/C13H16N2O4S2/c16-10-4-2-1-3-8(10)13-15(11(17)5-6-20)9(7-21-13)12(18)14-19/h1-4,9,13,16,19-20H,5-7H2,(H,14,18)/t9-,13+/m0/s1
InChIKeyQCFJGTPXRJAFMP-TVQRCGJNSA-N
MW328.42 g/mol
LogP1.16
Rot. Bonds4

About (2R,4R)-N-hydroxy-2-(2-hydroxyphenyl)-3-(3-sulfanylpropanoyl)-1,3-thiazolidine-4-carboxamide

(2R,4R)-N-hydroxy-2-(2-hydroxyphenyl)-3-(3-sulfanylpropanoyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 13066729) has the molecular formula C13H16N2O4S2 and a molecular weight of 328.42 g/mol. Its IUPAC name is (2R,4R)-N-hydroxy-2-(2-hydroxyphenyl)-3-(3-sulfanylpropanoyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(2R,4R)-N-hydroxy-2-(2-hydroxyphenyl)-3-(3-sulfanylpropanoyl)-1,3-thiazolidine-4-carboxamide
PubChem CID13066729
Molecular FormulaC13H16N2O4S2
Molecular Weight328.42 g/mol
Exact Mass328.06
IUPAC Name(2R,4R)-N-hydroxy-2-(2-hydroxyphenyl)-3-(3-sulfanylpropanoyl)-1,3-thiazolidine-4-carboxamide
SMILESO=C(NO)[C@@H]1CS[C@H](c2ccccc2O)N1C(=O)CCS
InChIInChI=1S/C13H16N2O4S2/c16-10-4-2-1-3-8(10)13-15(11(17)5-6-20)9(7-21-13)12(18)14-19/h1-4,9,13,16,19-20H,5-7H2,(H,14,18)/t9-,13+/m0/s1
InChIKeyQCFJGTPXRJAFMP-TVQRCGJNSA-N
XLogP1.16
TPSA89.87 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-N-hydroxy-2-(2-hydroxyphenyl)-3-(3-sulfanylpropanoyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (2R,4R)-N-hydroxy-2-(2-hydroxyphenyl)-3-(3-sulfanylpropanoyl)-1,3-thiazolidine-4-carboxamide (CID 13066729) is (2R,4R)-N-hydroxy-2-(2-hydroxyphenyl)-3-(3-sulfanylpropanoyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (2R,4R)-N-hydroxy-2-(2-hydroxyphenyl)-3-(3-sulfanylpropanoyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (2R,4R)-N-hydroxy-2-(2-hydroxyphenyl)-3-(3-sulfanylpropanoyl)-1,3-thiazolidine-4-carboxamide is O=C(NO)[C@@H]1CS[C@H](c2ccccc2O)N1C(=O)CCS.
What is the InChIKey of (2R,4R)-N-hydroxy-2-(2-hydroxyphenyl)-3-(3-sulfanylpropanoyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is QCFJGTPXRJAFMP-TVQRCGJNSA-N. The full InChI is InChI=1S/C13H16N2O4S2/c16-10-4-2-1-3-8(10)13-15(11(17)5-6-20)9(7-21-13)12(18)14-19/h1-4,9,13,16,19-20H,5-7H2,(H,14,18)/t9-,13+/m0/s1.
What are the key properties of (2R,4R)-N-hydroxy-2-(2-hydroxyphenyl)-3-(3-sulfanylpropanoyl)-1,3-thiazolidine-4-carboxamide?
(2R,4R)-N-hydroxy-2-(2-hydroxyphenyl)-3-(3-sulfanylpropanoyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 1.16, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-N-hydroxy-2-(2-hydroxyphenyl)-3-(3-sulfanylpropanoyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 13066729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).