tert-butyl N-[3-ethoxy-2-[1-(1,3-thiazol-2-yl)ethylamino]cyclobutyl]carbamate

C16H27N3O3S — CID 107255414

IUPACtert-butyl N-[3-ethoxy-2-[1-(1,3-thiazol-2-yl)ethylamino]cyclobutyl]carbamate
SMILESCCOC1CC(NC(=O)OC(C)(C)C)C1NC(C)c1nccs1
InChIInChI=1S/C16H27N3O3S/c1-6-21-12-9-11(19-15(20)22-16(3,4)5)13(12)18-10(2)14-17-7-8-23-14/h7-8,10-13,18H,6,9H2,1-5H3,(H,19,20)
InChIKeyVTKJFHUJYQLPJV-UHFFFAOYSA-N
MW341.48 g/mol
LogP2.86
Rot. Bonds6

About tert-butyl N-[3-ethoxy-2-[1-(1,3-thiazol-2-yl)ethylamino]cyclobutyl]carbamate

tert-butyl N-[3-ethoxy-2-[1-(1,3-thiazol-2-yl)ethylamino]cyclobutyl]carbamate (PubChem CID 107255414) has the molecular formula C16H27N3O3S and a molecular weight of 341.48 g/mol. Its IUPAC name is tert-butyl N-[3-ethoxy-2-[1-(1,3-thiazol-2-yl)ethylamino]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-ethoxy-2-[1-(1,3-thiazol-2-yl)ethylamino]cyclobutyl]carbamate
PubChem CID107255414
Molecular FormulaC16H27N3O3S
Molecular Weight341.48 g/mol
Exact Mass341.18
IUPAC Nametert-butyl N-[3-ethoxy-2-[1-(1,3-thiazol-2-yl)ethylamino]cyclobutyl]carbamate
SMILESCCOC1CC(NC(=O)OC(C)(C)C)C1NC(C)c1nccs1
InChIInChI=1S/C16H27N3O3S/c1-6-21-12-9-11(19-15(20)22-16(3,4)5)13(12)18-10(2)14-17-7-8-23-14/h7-8,10-13,18H,6,9H2,1-5H3,(H,19,20)
InChIKeyVTKJFHUJYQLPJV-UHFFFAOYSA-N
XLogP2.86
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[(1R,2R)-2-[1-(1,3-thiazol-2-yl)ethylamino]cyclohexyl]carbamate
CID 75441287
tert-butyl N-[3-ethoxy-2-[1-(furan-2-yl)ethylamino]cyclobutyl]carbamate
CID 107255274
tert-butyl N-[2-(1-cyclobutylpropan-2-ylamino)-3-ethoxycyclobutyl]carbamate
CID 107255353
tert-butyl N-[1-(1,3-thiazol-2-yl)propyl]carbamate
CID 64688740
tert-butyl N-[2-(cyclopropylamino)-3-ethoxycyclobutyl]carbamate
CID 107255401
tert-butyl N-[1-(1,3-thiazol-2-yl)ethylamino]carbamate
CID 107237311
tert-butyl N-[2-[1-(1,3-thiazol-2-yl)ethylamino]propyl]carbamate
CID 103390074
tert-butyl (3S)-3-methoxy-4-[1-(1,3-thiazol-2-yl)ethylamino]pyrrolidine-1-carboxylate
CID 103904519
tert-butyl N-[(1S,2R)-1-hydroxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-yl]carbamate
CID 22843594
tert-butyl N-[2-cyclopropyl-2-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]carbamate
CID 103898794
tert-butyl N-[2-[1-(1,3-thiazol-2-yl)ethylamino]pentyl]carbamate
CID 107253798
tert-butyl (3R)-3-[1-(1,3-thiazol-2-yl)ethylamino]pyrrolidine-1-carboxylate
CID 71633325

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-ethoxy-2-[1-(1,3-thiazol-2-yl)ethylamino]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-ethoxy-2-[1-(1,3-thiazol-2-yl)ethylamino]cyclobutyl]carbamate (CID 107255414) is tert-butyl N-[3-ethoxy-2-[1-(1,3-thiazol-2-yl)ethylamino]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-ethoxy-2-[1-(1,3-thiazol-2-yl)ethylamino]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-ethoxy-2-[1-(1,3-thiazol-2-yl)ethylamino]cyclobutyl]carbamate is CCOC1CC(NC(=O)OC(C)(C)C)C1NC(C)c1nccs1.
What is the InChIKey of tert-butyl N-[3-ethoxy-2-[1-(1,3-thiazol-2-yl)ethylamino]cyclobutyl]carbamate?
The InChIKey is VTKJFHUJYQLPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3S/c1-6-21-12-9-11(19-15(20)22-16(3,4)5)13(12)18-10(2)14-17-7-8-23-14/h7-8,10-13,18H,6,9H2,1-5H3,(H,19,20).
What are the key properties of tert-butyl N-[3-ethoxy-2-[1-(1,3-thiazol-2-yl)ethylamino]cyclobutyl]carbamate?
tert-butyl N-[3-ethoxy-2-[1-(1,3-thiazol-2-yl)ethylamino]cyclobutyl]carbamate has a molecular weight of 341.48 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-ethoxy-2-[1-(1,3-thiazol-2-yl)ethylamino]cyclobutyl]carbamate is sourced from PubChem (CID 107255414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).