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

C15H27N3O3S — CID 106379637

IUPACtert-butyl N-tert-butyl-N-[2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)N(CCNCc1csc(=O)[nH]1)C(C)(C)C
InChIInChI=1S/C15H27N3O3S/c1-14(2,3)18(13(20)21-15(4,5)6)8-7-16-9-11-10-22-12(19)17-11/h10,16H,7-9H2,1-6H3,(H,17,19)
InChIKeyYRGVEUPUZJHKAG-UHFFFAOYSA-N
MW329.47 g/mol
LogP2.56
Rot. Bonds5

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

tert-butyl N-tert-butyl-N-[2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]ethyl]carbamate (PubChem CID 106379637) has the molecular formula C15H27N3O3S and a molecular weight of 329.47 g/mol. Its IUPAC name is tert-butyl N-tert-butyl-N-[2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-tert-butyl-N-[2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]ethyl]carbamate
PubChem CID106379637
Molecular FormulaC15H27N3O3S
Molecular Weight329.47 g/mol
Exact Mass329.18
IUPAC Nametert-butyl N-tert-butyl-N-[2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)N(CCNCc1csc(=O)[nH]1)C(C)(C)C
InChIInChI=1S/C15H27N3O3S/c1-14(2,3)18(13(20)21-15(4,5)6)8-7-16-9-11-10-22-12(19)17-11/h10,16H,7-9H2,1-6H3,(H,17,19)
InChIKeyYRGVEUPUZJHKAG-UHFFFAOYSA-N
XLogP2.56
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 52.56
H-Bond Donors ≤ 52
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-tert-butyl-N-[2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]ethyl]carbamate?
The IUPAC name of tert-butyl N-tert-butyl-N-[2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]ethyl]carbamate (CID 106379637) is tert-butyl N-tert-butyl-N-[2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-tert-butyl-N-[2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-tert-butyl-N-[2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]ethyl]carbamate is CC(C)(C)OC(=O)N(CCNCc1csc(=O)[nH]1)C(C)(C)C.
What is the InChIKey of tert-butyl N-tert-butyl-N-[2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]ethyl]carbamate?
The InChIKey is YRGVEUPUZJHKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3S/c1-14(2,3)18(13(20)21-15(4,5)6)8-7-16-9-11-10-22-12(19)17-11/h10,16H,7-9H2,1-6H3,(H,17,19).
What are the key properties of tert-butyl N-tert-butyl-N-[2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]ethyl]carbamate?
tert-butyl N-tert-butyl-N-[2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]ethyl]carbamate has a molecular weight of 329.47 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-tert-butyl-N-[2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]ethyl]carbamate is sourced from PubChem (CID 106379637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).