tert-butyl (6S)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-6-carboxylate

C11H16N2O2S — CID 86308088

IUPACtert-butyl (6S)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-6-carboxylate
SMILESCC(C)(C)OC(=O)[C@@H]1Cc2ncsc2CN1
InChIInChI=1S/C11H16N2O2S/c1-11(2,3)15-10(14)8-4-7-9(5-12-8)16-6-13-7/h6,8,12H,4-5H2,1-3H3/t8-/m0/s1
InChIKeyHMEBFEOBBRYLSP-QMMMGPOBSA-N
MW240.33 g/mol
LogP1.50
Rot. Bonds1

About tert-butyl (6S)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-6-carboxylate

tert-butyl (6S)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-6-carboxylate (PubChem CID 86308088) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is tert-butyl (6S)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-6-carboxylate.

Molecular Properties

Compound Nametert-butyl (6S)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-6-carboxylate
PubChem CID86308088
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Nametert-butyl (6S)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-6-carboxylate
SMILESCC(C)(C)OC(=O)[C@@H]1Cc2ncsc2CN1
InChIInChI=1S/C11H16N2O2S/c1-11(2,3)15-10(14)8-4-7-9(5-12-8)16-6-13-7/h6,8,12H,4-5H2,1-3H3/t8-/m0/s1
InChIKeyHMEBFEOBBRYLSP-QMMMGPOBSA-N
XLogP1.50
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (6S)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-6-carboxylate?
The IUPAC name of tert-butyl (6S)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-6-carboxylate (CID 86308088) is tert-butyl (6S)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-6-carboxylate.
What is the SMILES notation for tert-butyl (6S)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-6-carboxylate?
The canonical SMILES for tert-butyl (6S)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-6-carboxylate is CC(C)(C)OC(=O)[C@@H]1Cc2ncsc2CN1.
What is the InChIKey of tert-butyl (6S)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-6-carboxylate?
The InChIKey is HMEBFEOBBRYLSP-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-11(2,3)15-10(14)8-4-7-9(5-12-8)16-6-13-7/h6,8,12H,4-5H2,1-3H3/t8-/m0/s1.
What are the key properties of tert-butyl (6S)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-6-carboxylate?
tert-butyl (6S)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-6-carboxylate has a molecular weight of 240.33 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (6S)-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine-6-carboxylate is sourced from PubChem (CID 86308088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).