tert-butyl (2S)-2-(1,3-thiazol-2-yl)piperidine-1-carboxylate

C13H20N2O2S — CID 138462804

IUPACtert-butyl (2S)-2-(1,3-thiazol-2-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC[C@H]1c1nccs1
InChIInChI=1S/C13H20N2O2S/c1-13(2,3)17-12(16)15-8-5-4-6-10(15)11-14-7-9-18-11/h7,9-10H,4-6,8H2,1-3H3/t10-/m0/s1
InChIKeyKKIYMZRMWBGOLZ-JTQLQIEISA-N
MW268.38 g/mol
LogP3.61
Rot. Bonds1

About tert-butyl (2S)-2-(1,3-thiazol-2-yl)piperidine-1-carboxylate

tert-butyl (2S)-2-(1,3-thiazol-2-yl)piperidine-1-carboxylate (PubChem CID 138462804) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is tert-butyl (2S)-2-(1,3-thiazol-2-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-(1,3-thiazol-2-yl)piperidine-1-carboxylate
PubChem CID138462804
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Nametert-butyl (2S)-2-(1,3-thiazol-2-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC[C@H]1c1nccs1
InChIInChI=1S/C13H20N2O2S/c1-13(2,3)17-12(16)15-8-5-4-6-10(15)11-14-7-9-18-11/h7,9-10H,4-6,8H2,1-3H3/t10-/m0/s1
InChIKeyKKIYMZRMWBGOLZ-JTQLQIEISA-N
XLogP3.61
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-(1,3-thiazol-2-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-(1,3-thiazol-2-yl)piperidine-1-carboxylate (CID 138462804) is tert-butyl (2S)-2-(1,3-thiazol-2-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-(1,3-thiazol-2-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-(1,3-thiazol-2-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC[C@H]1c1nccs1.
What is the InChIKey of tert-butyl (2S)-2-(1,3-thiazol-2-yl)piperidine-1-carboxylate?
The InChIKey is KKIYMZRMWBGOLZ-JTQLQIEISA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-13(2,3)17-12(16)15-8-5-4-6-10(15)11-14-7-9-18-11/h7,9-10H,4-6,8H2,1-3H3/t10-/m0/s1.
What are the key properties of tert-butyl (2S)-2-(1,3-thiazol-2-yl)piperidine-1-carboxylate?
tert-butyl (2S)-2-(1,3-thiazol-2-yl)piperidine-1-carboxylate has a molecular weight of 268.38 g/mol, XLogP of 3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-(1,3-thiazol-2-yl)piperidine-1-carboxylate is sourced from PubChem (CID 138462804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).