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

C8H10N2O2S — CID 22709819

IUPAC6-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid
SMILESCC1Cc2nc(C(=O)O)sc2CN1
InChIInChI=1S/C8H10N2O2S/c1-4-2-5-6(3-9-4)13-7(10-5)8(11)12/h4,9H,2-3H2,1H3,(H,11,12)
InChIKeyWPEXYCAQKTUYEW-UHFFFAOYSA-N
MW198.25 g/mol
LogP0.88
Rot. Bonds1

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

6-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid (PubChem CID 22709819) has the molecular formula C8H10N2O2S and a molecular weight of 198.25 g/mol. Its IUPAC name is 6-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid
PubChem CID22709819
Molecular FormulaC8H10N2O2S
Molecular Weight198.25 g/mol
Exact Mass198.05
IUPAC Name6-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid
SMILESCC1Cc2nc(C(=O)O)sc2CN1
InChIInChI=1S/C8H10N2O2S/c1-4-2-5-6(3-9-4)13-7(10-5)8(11)12/h4,9H,2-3H2,1H3,(H,11,12)
InChIKeyWPEXYCAQKTUYEW-UHFFFAOYSA-N
XLogP0.88
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid?
The IUPAC name of 6-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid (CID 22709819) is 6-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid?
The canonical SMILES for 6-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid is CC1Cc2nc(C(=O)O)sc2CN1.
What is the InChIKey of 6-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid?
The InChIKey is WPEXYCAQKTUYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2S/c1-4-2-5-6(3-9-4)13-7(10-5)8(11)12/h4,9H,2-3H2,1H3,(H,11,12).
What are the key properties of 6-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid?
6-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid has a molecular weight of 198.25 g/mol, XLogP of 0.88, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid is sourced from PubChem (CID 22709819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).