5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid

C9H12N2O2S — CID 79568290

IUPAC5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid
SMILESCCN1CCc2nc(C(=O)O)sc2C1
InChIInChI=1S/C9H12N2O2S/c1-2-11-4-3-6-7(5-11)14-8(10-6)9(12)13/h2-5H2,1H3,(H,12,13)
InChIKeyUTYBRIYXJHLLMK-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.22
Rot. Bonds2

About 5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid

5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid (PubChem CID 79568290) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is 5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid
PubChem CID79568290
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC Name5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid
SMILESCCN1CCc2nc(C(=O)O)sc2C1
InChIInChI=1S/C9H12N2O2S/c1-2-11-4-3-6-7(5-11)14-8(10-6)9(12)13/h2-5H2,1H3,(H,12,13)
InChIKeyUTYBRIYXJHLLMK-UHFFFAOYSA-N
XLogP1.22
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid?
The IUPAC name of 5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid (CID 79568290) is 5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid?
The canonical SMILES for 5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid is CCN1CCc2nc(C(=O)O)sc2C1.
What is the InChIKey of 5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid?
The InChIKey is UTYBRIYXJHLLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S/c1-2-11-4-3-6-7(5-11)14-8(10-6)9(12)13/h2-5H2,1H3,(H,12,13).
What are the key properties of 5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid?
5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid has a molecular weight of 212.27 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid is sourced from PubChem (CID 79568290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).