(4R)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carbaldehyde

C10H9NO2S — CID 137181236

IUPAC(4R)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carbaldehyde
SMILESO=C[C@@H]1CSC(c2ccccc2O)=N1
InChIInChI=1S/C10H9NO2S/c12-5-7-6-14-10(11-7)8-3-1-2-4-9(8)13/h1-5,7,13H,6H2/t7-/m1/s1
InChIKeyNINIAHXJBYQIFQ-SSDOTTSWSA-N
MW207.25 g/mol
LogP1.45
Rot. Bonds2

About (4R)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carbaldehyde

(4R)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carbaldehyde (PubChem CID 137181236) has the molecular formula C10H9NO2S and a molecular weight of 207.25 g/mol. Its IUPAC name is (4R)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carbaldehyde.

Molecular Properties

Compound Name(4R)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carbaldehyde
PubChem CID137181236
Molecular FormulaC10H9NO2S
Molecular Weight207.25 g/mol
Exact Mass207.04
IUPAC Name(4R)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carbaldehyde
SMILESO=C[C@@H]1CSC(c2ccccc2O)=N1
InChIInChI=1S/C10H9NO2S/c12-5-7-6-14-10(11-7)8-3-1-2-4-9(8)13/h1-5,7,13H,6H2/t7-/m1/s1
InChIKeyNINIAHXJBYQIFQ-SSDOTTSWSA-N
XLogP1.45
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carbaldehyde?
The IUPAC name of (4R)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carbaldehyde (CID 137181236) is (4R)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carbaldehyde.
What is the SMILES notation for (4R)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carbaldehyde?
The canonical SMILES for (4R)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carbaldehyde is O=C[C@@H]1CSC(c2ccccc2O)=N1.
What is the InChIKey of (4R)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carbaldehyde?
The InChIKey is NINIAHXJBYQIFQ-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H9NO2S/c12-5-7-6-14-10(11-7)8-3-1-2-4-9(8)13/h1-5,7,13H,6H2/t7-/m1/s1.
What are the key properties of (4R)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carbaldehyde?
(4R)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carbaldehyde has a molecular weight of 207.25 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carbaldehyde is sourced from PubChem (CID 137181236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).