tert-butyl N-[2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]ethyl]carbamate

C11H19N3O3S — CID 106380482

IUPACtert-butyl N-[2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNCc1csc(=O)[nH]1
InChIInChI=1S/C11H19N3O3S/c1-11(2,3)17-9(15)13-5-4-12-6-8-7-18-10(16)14-8/h7,12H,4-6H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyLKNWNGSEJDJGNL-UHFFFAOYSA-N
MW273.36 g/mol
LogP1.05
Rot. Bonds5

About tert-butyl N-[2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]ethyl]carbamate

tert-butyl N-[2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]ethyl]carbamate (PubChem CID 106380482) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is tert-butyl N-[2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]ethyl]carbamate
PubChem CID106380482
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC Nametert-butyl N-[2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNCc1csc(=O)[nH]1
InChIInChI=1S/C11H19N3O3S/c1-11(2,3)17-9(15)13-5-4-12-6-8-7-18-10(16)14-8/h7,12H,4-6H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyLKNWNGSEJDJGNL-UHFFFAOYSA-N
XLogP1.05
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]ethyl]carbamate (CID 106380482) is tert-butyl N-[2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]ethyl]carbamate is CC(C)(C)OC(=O)NCCNCc1csc(=O)[nH]1.
What is the InChIKey of tert-butyl N-[2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]ethyl]carbamate?
The InChIKey is LKNWNGSEJDJGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-11(2,3)17-9(15)13-5-4-12-6-8-7-18-10(16)14-8/h7,12H,4-6H2,1-3H3,(H,13,15)(H,14,16).
What are the key properties of tert-butyl N-[2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]ethyl]carbamate?
tert-butyl N-[2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]ethyl]carbamate has a molecular weight of 273.36 g/mol, XLogP of 1.05, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]ethyl]carbamate is sourced from PubChem (CID 106380482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).