(4S)-2-(3-hydroxy-2-pyridinyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid

C9H8N2O3S — CID 135532673

IUPAC(4S)-2-(3-hydroxy-2-pyridinyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)[C@H]1CSC(c2ncccc2O)=N1
InChIInChI=1S/C9H8N2O3S/c12-6-2-1-3-10-7(6)8-11-5(4-15-8)9(13)14/h1-3,5,12H,4H2,(H,13,14)/t5-/m1/s1
InChIKeyTZIBMXCYUYRNRT-RXMQYKEDSA-N
MW224.24 g/mol
LogP0.73
Rot. Bonds2

About (4S)-2-(3-hydroxy-2-pyridinyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid

(4S)-2-(3-hydroxy-2-pyridinyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid (PubChem CID 135532673) has the molecular formula C9H8N2O3S and a molecular weight of 224.24 g/mol. Its IUPAC name is (4S)-2-(3-hydroxy-2-pyridinyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name(4S)-2-(3-hydroxy-2-pyridinyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
PubChem CID135532673
Molecular FormulaC9H8N2O3S
Molecular Weight224.24 g/mol
Exact Mass224.03
IUPAC Name(4S)-2-(3-hydroxy-2-pyridinyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)[C@H]1CSC(c2ncccc2O)=N1
InChIInChI=1S/C9H8N2O3S/c12-6-2-1-3-10-7(6)8-11-5(4-15-8)9(13)14/h1-3,5,12H,4H2,(H,13,14)/t5-/m1/s1
InChIKeyTZIBMXCYUYRNRT-RXMQYKEDSA-N
XLogP0.73
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S)-2-(3-hydroxy-2-pyridinyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
The IUPAC name of (4S)-2-(3-hydroxy-2-pyridinyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid (CID 135532673) is (4S)-2-(3-hydroxy-2-pyridinyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for (4S)-2-(3-hydroxy-2-pyridinyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for (4S)-2-(3-hydroxy-2-pyridinyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid is O=C(O)[C@H]1CSC(c2ncccc2O)=N1.
What is the InChIKey of (4S)-2-(3-hydroxy-2-pyridinyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
The InChIKey is TZIBMXCYUYRNRT-RXMQYKEDSA-N. The full InChI is InChI=1S/C9H8N2O3S/c12-6-2-1-3-10-7(6)8-11-5(4-15-8)9(13)14/h1-3,5,12H,4H2,(H,13,14)/t5-/m1/s1.
What are the key properties of (4S)-2-(3-hydroxy-2-pyridinyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid?
(4S)-2-(3-hydroxy-2-pyridinyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid has a molecular weight of 224.24 g/mol, XLogP of 0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-(3-hydroxy-2-pyridinyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 135532673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).