tert-butyl N-[2-oxo-2-(1,2-thiazol-5-yl)ethyl]carbamate

C10H14N2O3S — CID 160806284

IUPACtert-butyl N-[2-oxo-2-(1,2-thiazol-5-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)c1ccns1
InChIInChI=1S/C10H14N2O3S/c1-10(2,3)15-9(14)11-6-7(13)8-4-5-12-16-8/h4-5H,6H2,1-3H3,(H,11,14)
InChIKeySDSQETKXABTOFQ-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.85
Rot. Bonds3

About tert-butyl N-[2-oxo-2-(1,2-thiazol-5-yl)ethyl]carbamate

tert-butyl N-[2-oxo-2-(1,2-thiazol-5-yl)ethyl]carbamate (PubChem CID 160806284) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is tert-butyl N-[2-oxo-2-(1,2-thiazol-5-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-oxo-2-(1,2-thiazol-5-yl)ethyl]carbamate
PubChem CID160806284
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Nametert-butyl N-[2-oxo-2-(1,2-thiazol-5-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)c1ccns1
InChIInChI=1S/C10H14N2O3S/c1-10(2,3)15-9(14)11-6-7(13)8-4-5-12-16-8/h4-5H,6H2,1-3H3,(H,11,14)
InChIKeySDSQETKXABTOFQ-UHFFFAOYSA-N
XLogP1.85
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-oxo-2-(1,2-thiazol-5-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-oxo-2-(1,2-thiazol-5-yl)ethyl]carbamate (CID 160806284) is tert-butyl N-[2-oxo-2-(1,2-thiazol-5-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-oxo-2-(1,2-thiazol-5-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-oxo-2-(1,2-thiazol-5-yl)ethyl]carbamate is CC(C)(C)OC(=O)NCC(=O)c1ccns1.
What is the InChIKey of tert-butyl N-[2-oxo-2-(1,2-thiazol-5-yl)ethyl]carbamate?
The InChIKey is SDSQETKXABTOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-10(2,3)15-9(14)11-6-7(13)8-4-5-12-16-8/h4-5H,6H2,1-3H3,(H,11,14).
What are the key properties of tert-butyl N-[2-oxo-2-(1,2-thiazol-5-yl)ethyl]carbamate?
tert-butyl N-[2-oxo-2-(1,2-thiazol-5-yl)ethyl]carbamate has a molecular weight of 242.30 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-oxo-2-(1,2-thiazol-5-yl)ethyl]carbamate is sourced from PubChem (CID 160806284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).