tert-butyl N-[1-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]carbamate

C17H29N3O2S — CID 56783925

IUPACtert-butyl N-[1-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]carbamate
SMILESCCc1nc(CN2CCC(NC(=O)OC(C)(C)C)CC2)sc1C
InChIInChI=1S/C17H29N3O2S/c1-6-14-12(2)23-15(19-14)11-20-9-7-13(8-10-20)18-16(21)22-17(3,4)5/h13H,6-11H2,1-5H3,(H,18,21)
InChIKeyMXMGWDOSRZPCSN-UHFFFAOYSA-N
MW339.51 g/mol
LogP3.50
Rot. Bonds4

About tert-butyl N-[1-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]carbamate

tert-butyl N-[1-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]carbamate (PubChem CID 56783925) has the molecular formula C17H29N3O2S and a molecular weight of 339.51 g/mol. Its IUPAC name is tert-butyl N-[1-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]carbamate
PubChem CID56783925
Molecular FormulaC17H29N3O2S
Molecular Weight339.51 g/mol
Exact Mass339.20
IUPAC Nametert-butyl N-[1-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]carbamate
SMILESCCc1nc(CN2CCC(NC(=O)OC(C)(C)C)CC2)sc1C
InChIInChI=1S/C17H29N3O2S/c1-6-14-12(2)23-15(19-14)11-20-9-7-13(8-10-20)18-16(21)22-17(3,4)5/h13H,6-11H2,1-5H3,(H,18,21)
InChIKeyMXMGWDOSRZPCSN-UHFFFAOYSA-N
XLogP3.50
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.51
LogP ≤ 53.50
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-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]carbamate (CID 56783925) is tert-butyl N-[1-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]carbamate is CCc1nc(CN2CCC(NC(=O)OC(C)(C)C)CC2)sc1C.
What is the InChIKey of tert-butyl N-[1-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]carbamate?
The InChIKey is MXMGWDOSRZPCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2S/c1-6-14-12(2)23-15(19-14)11-20-9-7-13(8-10-20)18-16(21)22-17(3,4)5/h13H,6-11H2,1-5H3,(H,18,21).
What are the key properties of tert-butyl N-[1-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]carbamate?
tert-butyl N-[1-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]carbamate has a molecular weight of 339.51 g/mol, XLogP of 3.50, 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-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 56783925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).