[(2S)-2-(4-chlorophenyl)-4-(hydroxymethyl)-1,3-thiazolidin-4-yl]methanol

C11H14ClNO2S — CID 102500902

IUPAC[(2S)-2-(4-chlorophenyl)-4-(hydroxymethyl)-1,3-thiazolidin-4-yl]methanol
SMILESOCC1(CO)CS[C@@H](c2ccc(Cl)cc2)N1
InChIInChI=1S/C11H14ClNO2S/c12-9-3-1-8(2-4-9)10-13-11(5-14,6-15)7-16-10/h1-4,10,13-15H,5-7H2/t10-/m0/s1
InChIKeyBBIRBNMTPRFFIQ-JTQLQIEISA-N
MW259.76 g/mol
LogP1.40
Rot. Bonds3

About [(2S)-2-(4-chlorophenyl)-4-(hydroxymethyl)-1,3-thiazolidin-4-yl]methanol

[(2S)-2-(4-chlorophenyl)-4-(hydroxymethyl)-1,3-thiazolidin-4-yl]methanol (PubChem CID 102500902) has the molecular formula C11H14ClNO2S and a molecular weight of 259.76 g/mol. Its IUPAC name is [(2S)-2-(4-chlorophenyl)-4-(hydroxymethyl)-1,3-thiazolidin-4-yl]methanol.

Molecular Properties

Compound Name[(2S)-2-(4-chlorophenyl)-4-(hydroxymethyl)-1,3-thiazolidin-4-yl]methanol
PubChem CID102500902
Molecular FormulaC11H14ClNO2S
Molecular Weight259.76 g/mol
Exact Mass259.04
IUPAC Name[(2S)-2-(4-chlorophenyl)-4-(hydroxymethyl)-1,3-thiazolidin-4-yl]methanol
SMILESOCC1(CO)CS[C@@H](c2ccc(Cl)cc2)N1
InChIInChI=1S/C11H14ClNO2S/c12-9-3-1-8(2-4-9)10-13-11(5-14,6-15)7-16-10/h1-4,10,13-15H,5-7H2/t10-/m0/s1
InChIKeyBBIRBNMTPRFFIQ-JTQLQIEISA-N
XLogP1.40
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.76
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(4-chlorophenyl)-4-(hydroxymethyl)-1,3-thiazolidin-4-yl]methanol?
The IUPAC name of [(2S)-2-(4-chlorophenyl)-4-(hydroxymethyl)-1,3-thiazolidin-4-yl]methanol (CID 102500902) is [(2S)-2-(4-chlorophenyl)-4-(hydroxymethyl)-1,3-thiazolidin-4-yl]methanol.
What is the SMILES notation for [(2S)-2-(4-chlorophenyl)-4-(hydroxymethyl)-1,3-thiazolidin-4-yl]methanol?
The canonical SMILES for [(2S)-2-(4-chlorophenyl)-4-(hydroxymethyl)-1,3-thiazolidin-4-yl]methanol is OCC1(CO)CS[C@@H](c2ccc(Cl)cc2)N1.
What is the InChIKey of [(2S)-2-(4-chlorophenyl)-4-(hydroxymethyl)-1,3-thiazolidin-4-yl]methanol?
The InChIKey is BBIRBNMTPRFFIQ-JTQLQIEISA-N. The full InChI is InChI=1S/C11H14ClNO2S/c12-9-3-1-8(2-4-9)10-13-11(5-14,6-15)7-16-10/h1-4,10,13-15H,5-7H2/t10-/m0/s1.
What are the key properties of [(2S)-2-(4-chlorophenyl)-4-(hydroxymethyl)-1,3-thiazolidin-4-yl]methanol?
[(2S)-2-(4-chlorophenyl)-4-(hydroxymethyl)-1,3-thiazolidin-4-yl]methanol has a molecular weight of 259.76 g/mol, XLogP of 1.40, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(4-chlorophenyl)-4-(hydroxymethyl)-1,3-thiazolidin-4-yl]methanol is sourced from PubChem (CID 102500902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).