[4-[(2R)-1,3-thiazolidin-2-yl]phenyl]boronic acid

C9H12BNO2S — CID 99738202

IUPAC[4-[(2R)-1,3-thiazolidin-2-yl]phenyl]boronic acid
SMILESOB(O)c1ccc([C@@H]2NCCS2)cc1
InChIInChI=1S/C9H12BNO2S/c12-10(13)8-3-1-7(2-4-8)9-11-5-6-14-9/h1-4,9,11-13H,5-6H2/t9-/m1/s1
InChIKeyJXWCKTPGUFGAKU-SECBINFHSA-N
MW209.08 g/mol
LogP-0.30
Rot. Bonds2

About [4-[(2R)-1,3-thiazolidin-2-yl]phenyl]boronic acid

[4-[(2R)-1,3-thiazolidin-2-yl]phenyl]boronic acid (PubChem CID 99738202) has the molecular formula C9H12BNO2S and a molecular weight of 209.08 g/mol. Its IUPAC name is [4-[(2R)-1,3-thiazolidin-2-yl]phenyl]boronic acid.

Molecular Properties

Compound Name[4-[(2R)-1,3-thiazolidin-2-yl]phenyl]boronic acid
PubChem CID99738202
Molecular FormulaC9H12BNO2S
Molecular Weight209.08 g/mol
Exact Mass209.07
IUPAC Name[4-[(2R)-1,3-thiazolidin-2-yl]phenyl]boronic acid
SMILESOB(O)c1ccc([C@@H]2NCCS2)cc1
InChIInChI=1S/C9H12BNO2S/c12-10(13)8-3-1-7(2-4-8)9-11-5-6-14-9/h1-4,9,11-13H,5-6H2/t9-/m1/s1
InChIKeyJXWCKTPGUFGAKU-SECBINFHSA-N
XLogP-0.30
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.08
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-[(2S)-1,3-thiazolidin-2-yl]phenyl]boronic acid
CID 99738203
(2R)-2-(4-fluorophenyl)-1,3-thiazolidine
CID 42544128
2-(4-methylphenyl)-1,3-thiazolidine
CID 2771069
4-(1,3-thiazolidin-2-yl)benzonitrile;hydrochloride
CID 170986640
(2R)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidine
CID 28775424
2-methyl-4-[4-(1,3-thiazolidin-2-yl)phenyl]but-3-yn-2-ol
CID 3155923
2-[4-(3-fluoropropoxy)phenyl]-1,3-thiazolidine
CID 18526272
(2R)-2-[4-(3-fluoropropoxy)phenyl]-1,3-thiazolidine
CID 42544288
(2S)-2-[4-(3-fluoropropoxy)phenyl]-1,3-thiazolidine
CID 42544290
2-(3-bromo-4-methylphenyl)-1,3-thiazolidine
CID 105403203
2-(3,4-dimethoxyphenyl)-1,3-thiazolidine
CID 3050896
2-(1,3-benzodioxol-5-yl)-1,3-thiazolidine;hydrochloride
CID 14155913

Frequently Asked Questions

What is the IUPAC name of [4-[(2R)-1,3-thiazolidin-2-yl]phenyl]boronic acid?
The IUPAC name of [4-[(2R)-1,3-thiazolidin-2-yl]phenyl]boronic acid (CID 99738202) is [4-[(2R)-1,3-thiazolidin-2-yl]phenyl]boronic acid.
What is the SMILES notation for [4-[(2R)-1,3-thiazolidin-2-yl]phenyl]boronic acid?
The canonical SMILES for [4-[(2R)-1,3-thiazolidin-2-yl]phenyl]boronic acid is OB(O)c1ccc([C@@H]2NCCS2)cc1.
What is the InChIKey of [4-[(2R)-1,3-thiazolidin-2-yl]phenyl]boronic acid?
The InChIKey is JXWCKTPGUFGAKU-SECBINFHSA-N. The full InChI is InChI=1S/C9H12BNO2S/c12-10(13)8-3-1-7(2-4-8)9-11-5-6-14-9/h1-4,9,11-13H,5-6H2/t9-/m1/s1.
What are the key properties of [4-[(2R)-1,3-thiazolidin-2-yl]phenyl]boronic acid?
[4-[(2R)-1,3-thiazolidin-2-yl]phenyl]boronic acid has a molecular weight of 209.08 g/mol, XLogP of -0.30, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2R)-1,3-thiazolidin-2-yl]phenyl]boronic acid is sourced from PubChem (CID 99738202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).