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

C11H16N2O2S — CID 68905386

IUPAC4-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid
SMILESCC(C)(C)C1NCCc2nc(C(=O)O)sc21
InChIInChI=1S/C11H16N2O2S/c1-11(2,3)8-7-6(4-5-12-8)13-9(16-7)10(14)15/h8,12H,4-5H2,1-3H3,(H,14,15)
InChIKeyHKZQVKJAZIRSII-UHFFFAOYSA-N
MW240.33 g/mol
LogP2.07
Rot. Bonds1

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

4-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid (PubChem CID 68905386) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 4-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid
PubChem CID68905386
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name4-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid
SMILESCC(C)(C)C1NCCc2nc(C(=O)O)sc21
InChIInChI=1S/C11H16N2O2S/c1-11(2,3)8-7-6(4-5-12-8)13-9(16-7)10(14)15/h8,12H,4-5H2,1-3H3,(H,14,15)
InChIKeyHKZQVKJAZIRSII-UHFFFAOYSA-N
XLogP2.07
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid?
The IUPAC name of 4-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid (CID 68905386) is 4-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid?
The canonical SMILES for 4-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid is CC(C)(C)C1NCCc2nc(C(=O)O)sc21.
What is the InChIKey of 4-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid?
The InChIKey is HKZQVKJAZIRSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-11(2,3)8-7-6(4-5-12-8)13-9(16-7)10(14)15/h8,12H,4-5H2,1-3H3,(H,14,15).
What are the key properties of 4-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid?
4-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid has a molecular weight of 240.33 g/mol, XLogP of 2.07, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid is sourced from PubChem (CID 68905386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).