2-(5-chloro-2-hydroxyphenyl)-1,3-thiazolidine-5-carboxylic acid

C10H10ClNO3S — CID 5003520

IUPAC2-(5-chloro-2-hydroxyphenyl)-1,3-thiazolidine-5-carboxylic acid
SMILESO=C(O)C1CNC(c2cc(Cl)ccc2O)S1
InChIInChI=1S/C10H10ClNO3S/c11-5-1-2-7(13)6(3-5)9-12-4-8(16-9)10(14)15/h1-3,8-9,12-13H,4H2,(H,14,15)
InChIKeyHPKDTYMOOPBZLD-UHFFFAOYSA-N
MW259.71 g/mol
LogP1.83
Rot. Bonds2

About 2-(5-chloro-2-hydroxyphenyl)-1,3-thiazolidine-5-carboxylic acid

2-(5-chloro-2-hydroxyphenyl)-1,3-thiazolidine-5-carboxylic acid (PubChem CID 5003520) has the molecular formula C10H10ClNO3S and a molecular weight of 259.71 g/mol. Its IUPAC name is 2-(5-chloro-2-hydroxyphenyl)-1,3-thiazolidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(5-chloro-2-hydroxyphenyl)-1,3-thiazolidine-5-carboxylic acid
PubChem CID5003520
Molecular FormulaC10H10ClNO3S
Molecular Weight259.71 g/mol
Exact Mass259.01
IUPAC Name2-(5-chloro-2-hydroxyphenyl)-1,3-thiazolidine-5-carboxylic acid
SMILESO=C(O)C1CNC(c2cc(Cl)ccc2O)S1
InChIInChI=1S/C10H10ClNO3S/c11-5-1-2-7(13)6(3-5)9-12-4-8(16-9)10(14)15/h1-3,8-9,12-13H,4H2,(H,14,15)
InChIKeyHPKDTYMOOPBZLD-UHFFFAOYSA-N
XLogP1.83
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.71
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-(4-hydroxy-3-nitrophenyl)-1,3-thiazolidine-5-carboxylic acid
CID 607768
(5R)-2-phenyl-1,3-thiazolidine-5-carboxylic acid
CID 101033046
(2S,5S)-2-phenyl-1,3-thiazolidine-5-carboxylic acid
CID 774047
(4R)-4-(5-chloro-2-hydroxyphenyl)imidazolidin-2-one
CID 130889049
4-(5-chloro-2-hydroxyphenyl)piperidine-1-carboxylic acid
CID 66905730
4-chloro-2-[(1S,2R)-2-hydroxycyclohexyl]phenol
CID 18653092
5-chloro-2-hydroxybenzenecarbothioic S-acid;zinc
CID 88741905
(3R)-7-chloro-3-(5-chloro-2-hydroxyphenyl)-2,3-dihydro-1H-inden-4-ol
CID 134510335
(4R)-2-(5-chloro-2-hydroxyphenyl)-3-[(2S)-2-methyl-3-sulfanylpropanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 12915729
[2-(5-chloro-2-hydroxyphenyl)cyclopropyl]methyl carbamate
CID 175148334
4-chloro-2-[(1S)-6-fluoro-1,2,3,4-tetrahydroisoquinolin-1-yl]phenol
CID 96962536
2-(2,5-dichlorophenyl)cycloheptane-1-carboxylic acid
CID 79015259

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-hydroxyphenyl)-1,3-thiazolidine-5-carboxylic acid?
The IUPAC name of 2-(5-chloro-2-hydroxyphenyl)-1,3-thiazolidine-5-carboxylic acid (CID 5003520) is 2-(5-chloro-2-hydroxyphenyl)-1,3-thiazolidine-5-carboxylic acid.
What is the SMILES notation for 2-(5-chloro-2-hydroxyphenyl)-1,3-thiazolidine-5-carboxylic acid?
The canonical SMILES for 2-(5-chloro-2-hydroxyphenyl)-1,3-thiazolidine-5-carboxylic acid is O=C(O)C1CNC(c2cc(Cl)ccc2O)S1.
What is the InChIKey of 2-(5-chloro-2-hydroxyphenyl)-1,3-thiazolidine-5-carboxylic acid?
The InChIKey is HPKDTYMOOPBZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO3S/c11-5-1-2-7(13)6(3-5)9-12-4-8(16-9)10(14)15/h1-3,8-9,12-13H,4H2,(H,14,15).
What are the key properties of 2-(5-chloro-2-hydroxyphenyl)-1,3-thiazolidine-5-carboxylic acid?
2-(5-chloro-2-hydroxyphenyl)-1,3-thiazolidine-5-carboxylic acid has a molecular weight of 259.71 g/mol, XLogP of 1.83, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-hydroxyphenyl)-1,3-thiazolidine-5-carboxylic acid is sourced from PubChem (CID 5003520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).