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

C8H10N2O2S — CID 22711439

IUPAC5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-2-carboxylic acid
SMILESCN1CCc2sc(C(=O)O)nc2C1
InChIInChI=1S/C8H10N2O2S/c1-10-3-2-6-5(4-10)9-7(13-6)8(11)12/h2-4H2,1H3,(H,11,12)
InChIKeyLCZNWXYYTKYUGV-UHFFFAOYSA-N
MW198.25 g/mol
LogP0.83
Rot. Bonds1

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

5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-2-carboxylic acid (PubChem CID 22711439) has the molecular formula C8H10N2O2S and a molecular weight of 198.25 g/mol. Its IUPAC name is 5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-2-carboxylic acid
PubChem CID22711439
Molecular FormulaC8H10N2O2S
Molecular Weight198.25 g/mol
Exact Mass198.05
IUPAC Name5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-2-carboxylic acid
SMILESCN1CCc2sc(C(=O)O)nc2C1
InChIInChI=1S/C8H10N2O2S/c1-10-3-2-6-5(4-10)9-7(13-6)8(11)12/h2-4H2,1H3,(H,11,12)
InChIKeyLCZNWXYYTKYUGV-UHFFFAOYSA-N
XLogP0.83
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-2-carboxylic acid?
The IUPAC name of 5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-2-carboxylic acid (CID 22711439) is 5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-2-carboxylic acid?
The canonical SMILES for 5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-2-carboxylic acid is CN1CCc2sc(C(=O)O)nc2C1.
What is the InChIKey of 5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-2-carboxylic acid?
The InChIKey is LCZNWXYYTKYUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2S/c1-10-3-2-6-5(4-10)9-7(13-6)8(11)12/h2-4H2,1H3,(H,11,12).
What are the key properties of 5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-2-carboxylic acid?
5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-2-carboxylic acid has a molecular weight of 198.25 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-2-carboxylic acid is sourced from PubChem (CID 22711439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).