tert-butyl N-[[1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-2-yl]methyl]carbamate

C16H27N3O2S — CID 71633448

IUPACtert-butyl N-[[1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-2-yl]methyl]carbamate
SMILESCC(c1nccs1)N1CCCCC1CNC(=O)OC(C)(C)C
InChIInChI=1S/C16H27N3O2S/c1-12(14-17-8-10-22-14)19-9-6-5-7-13(19)11-18-15(20)21-16(2,3)4/h8,10,12-13H,5-7,9,11H2,1-4H3,(H,18,20)
InChIKeyDBMXMOHABMGRAU-UHFFFAOYSA-N
MW325.48 g/mol
LogP3.58
Rot. Bonds4

About tert-butyl N-[[1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-2-yl]methyl]carbamate

tert-butyl N-[[1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-2-yl]methyl]carbamate (PubChem CID 71633448) has the molecular formula C16H27N3O2S and a molecular weight of 325.48 g/mol. Its IUPAC name is tert-butyl N-[[1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-2-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-2-yl]methyl]carbamate
PubChem CID71633448
Molecular FormulaC16H27N3O2S
Molecular Weight325.48 g/mol
Exact Mass325.18
IUPAC Nametert-butyl N-[[1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-2-yl]methyl]carbamate
SMILESCC(c1nccs1)N1CCCCC1CNC(=O)OC(C)(C)C
InChIInChI=1S/C16H27N3O2S/c1-12(14-17-8-10-22-14)19-9-6-5-7-13(19)11-18-15(20)21-16(2,3)4/h8,10,12-13H,5-7,9,11H2,1-4H3,(H,18,20)
InChIKeyDBMXMOHABMGRAU-UHFFFAOYSA-N
XLogP3.58
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-2-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-2-yl]methyl]carbamate (CID 71633448) is tert-butyl N-[[1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-2-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-2-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-2-yl]methyl]carbamate is CC(c1nccs1)N1CCCCC1CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-2-yl]methyl]carbamate?
The InChIKey is DBMXMOHABMGRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2S/c1-12(14-17-8-10-22-14)19-9-6-5-7-13(19)11-18-15(20)21-16(2,3)4/h8,10,12-13H,5-7,9,11H2,1-4H3,(H,18,20).
What are the key properties of tert-butyl N-[[1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-2-yl]methyl]carbamate?
tert-butyl N-[[1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-2-yl]methyl]carbamate has a molecular weight of 325.48 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-2-yl]methyl]carbamate is sourced from PubChem (CID 71633448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).