2-[(2S)-4,4-bis(hydroxymethyl)-1,3-thiazolidin-2-yl]phenol

C11H15NO3S — CID 102500912

IUPAC2-[(2S)-4,4-bis(hydroxymethyl)-1,3-thiazolidin-2-yl]phenol
SMILESOCC1(CO)CS[C@@H](c2ccccc2O)N1
InChIInChI=1S/C11H15NO3S/c13-5-11(6-14)7-16-10(12-11)8-3-1-2-4-9(8)15/h1-4,10,12-15H,5-7H2/t10-/m0/s1
InChIKeyHIJPYZWIAAKFSX-JTQLQIEISA-N
MW241.31 g/mol
LogP0.45
Rot. Bonds3

About 2-[(2S)-4,4-bis(hydroxymethyl)-1,3-thiazolidin-2-yl]phenol

2-[(2S)-4,4-bis(hydroxymethyl)-1,3-thiazolidin-2-yl]phenol (PubChem CID 102500912) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is 2-[(2S)-4,4-bis(hydroxymethyl)-1,3-thiazolidin-2-yl]phenol.

Molecular Properties

Compound Name2-[(2S)-4,4-bis(hydroxymethyl)-1,3-thiazolidin-2-yl]phenol
PubChem CID102500912
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name2-[(2S)-4,4-bis(hydroxymethyl)-1,3-thiazolidin-2-yl]phenol
SMILESOCC1(CO)CS[C@@H](c2ccccc2O)N1
InChIInChI=1S/C11H15NO3S/c13-5-11(6-14)7-16-10(12-11)8-3-1-2-4-9(8)15/h1-4,10,12-15H,5-7H2/t10-/m0/s1
InChIKeyHIJPYZWIAAKFSX-JTQLQIEISA-N
XLogP0.45
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 50.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-2-(4-chlorophenyl)-4-(hydroxymethyl)-1,3-thiazolidin-4-yl]methanol
CID 102500902
[(2S,4R)-4-benzyl-4-(hydroxymethyl)azetidin-2-yl]methanol
CID 126483740
2-[2-(hydroxymethyl)-2-methylpiperidin-4-yl]phenol
CID 117258606
2-(azetidin-2-yl)phenol
CID 55282316
(2R,4S)-2-(2-hydroxyphenyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
CID 23241428
2-(3,3-difluorocyclobutyl)phenol
CID 115016625
(6aR,13bS)-6,6a,7,8,9,13b-hexahydrothiochromeno[4,3-a][3]benzazepine-11,12-diol;hydrobromide
CID 53494977
2-(2,3-dichlorocyclopropyl)phenol
CID 69048040
2-(6,6-dimethylpiperazin-2-yl)phenol
CID 82395867
4-(2-hydroxyphenyl)-2-methylpyrrolidine-2-carboxylic acid
CID 117270263
2-[(3S)-4,4-diethylpyrrolidin-3-yl]phenol
CID 125450658
(4S,6S)-2,2-bis(hydroxymethyl)-4-methyl-6-phenylpiperidin-4-ol
CID 23244042

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4,4-bis(hydroxymethyl)-1,3-thiazolidin-2-yl]phenol?
The IUPAC name of 2-[(2S)-4,4-bis(hydroxymethyl)-1,3-thiazolidin-2-yl]phenol (CID 102500912) is 2-[(2S)-4,4-bis(hydroxymethyl)-1,3-thiazolidin-2-yl]phenol.
What is the SMILES notation for 2-[(2S)-4,4-bis(hydroxymethyl)-1,3-thiazolidin-2-yl]phenol?
The canonical SMILES for 2-[(2S)-4,4-bis(hydroxymethyl)-1,3-thiazolidin-2-yl]phenol is OCC1(CO)CS[C@@H](c2ccccc2O)N1.
What is the InChIKey of 2-[(2S)-4,4-bis(hydroxymethyl)-1,3-thiazolidin-2-yl]phenol?
The InChIKey is HIJPYZWIAAKFSX-JTQLQIEISA-N. The full InChI is InChI=1S/C11H15NO3S/c13-5-11(6-14)7-16-10(12-11)8-3-1-2-4-9(8)15/h1-4,10,12-15H,5-7H2/t10-/m0/s1.
What are the key properties of 2-[(2S)-4,4-bis(hydroxymethyl)-1,3-thiazolidin-2-yl]phenol?
2-[(2S)-4,4-bis(hydroxymethyl)-1,3-thiazolidin-2-yl]phenol has a molecular weight of 241.31 g/mol, XLogP of 0.45, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4,4-bis(hydroxymethyl)-1,3-thiazolidin-2-yl]phenol is sourced from PubChem (CID 102500912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).