2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-5-carboxylic acid

C10H9NO3S — CID 135871156

IUPAC2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)C1CN=C(c2ccccc2O)S1
InChIInChI=1S/C10H9NO3S/c12-7-4-2-1-3-6(7)9-11-5-8(15-9)10(13)14/h1-4,8,12H,5H2,(H,13,14)
InChIKeyZOVGEOSZMHBTOZ-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.34
Rot. Bonds2

About 2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-5-carboxylic acid

2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-5-carboxylic acid (PubChem CID 135871156) has the molecular formula C10H9NO3S and a molecular weight of 223.25 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-5-carboxylic acid
PubChem CID135871156
Molecular FormulaC10H9NO3S
Molecular Weight223.25 g/mol
Exact Mass223.03
IUPAC Name2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)C1CN=C(c2ccccc2O)S1
InChIInChI=1S/C10H9NO3S/c12-7-4-2-1-3-6(7)9-11-5-8(15-9)10(13)14/h1-4,8,12H,5H2,(H,13,14)
InChIKeyZOVGEOSZMHBTOZ-UHFFFAOYSA-N
XLogP1.34
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-5-carboxylic acid (CID 135871156) is 2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-5-carboxylic acid is O=C(O)C1CN=C(c2ccccc2O)S1.
What is the InChIKey of 2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-5-carboxylic acid?
The InChIKey is ZOVGEOSZMHBTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3S/c12-7-4-2-1-3-6(7)9-11-5-8(15-9)10(13)14/h1-4,8,12H,5H2,(H,13,14).
What are the key properties of 2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-5-carboxylic acid?
2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-5-carboxylic acid has a molecular weight of 223.25 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 135871156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).