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

C8H11ClN2O2S — CID 11149031

IUPAC5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid;hydrochloride
SMILESCN1CCc2nc(C(=O)O)sc2C1.Cl
InChIInChI=1S/C8H10N2O2S.ClH/c1-10-3-2-5-6(4-10)13-7(9-5)8(11)12;/h2-4H2,1H3,(H,11,12);1H
InChIKeyZWIYEBIMFPQYDI-UHFFFAOYSA-N
MW234.71 g/mol
LogP1.25
Rot. Bonds1

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

5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid;hydrochloride (PubChem CID 11149031) has the molecular formula C8H11ClN2O2S and a molecular weight of 234.71 g/mol. Its IUPAC name is 5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid;hydrochloride
PubChem CID11149031
Molecular FormulaC8H11ClN2O2S
Molecular Weight234.71 g/mol
Exact Mass234.02
IUPAC Name5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid;hydrochloride
SMILESCN1CCc2nc(C(=O)O)sc2C1.Cl
InChIInChI=1S/C8H10N2O2S.ClH/c1-10-3-2-5-6(4-10)13-7(9-5)8(11)12;/h2-4H2,1H3,(H,11,12);1H
InChIKeyZWIYEBIMFPQYDI-UHFFFAOYSA-N
XLogP1.25
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.71
LogP ≤ 51.25
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[5,4-c]pyridine-2-carboxylic acid;hydrochloride?
The IUPAC name of 5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid;hydrochloride (CID 11149031) is 5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid;hydrochloride?
The canonical SMILES for 5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid;hydrochloride is CN1CCc2nc(C(=O)O)sc2C1.Cl.
What is the InChIKey of 5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid;hydrochloride?
The InChIKey is ZWIYEBIMFPQYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2S.ClH/c1-10-3-2-5-6(4-10)13-7(9-5)8(11)12;/h2-4H2,1H3,(H,11,12);1H.
What are the key properties of 5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid;hydrochloride?
5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid;hydrochloride has a molecular weight of 234.71 g/mol, XLogP of 1.25, 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[5,4-c]pyridine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 11149031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).