tert-butyl N-[3-oxo-3-(1,2-thiazol-5-yl)propyl]carbamate

C11H16N2O3S — CID 90713548

IUPACtert-butyl N-[3-oxo-3-(1,2-thiazol-5-yl)propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC(=O)c1ccns1
InChIInChI=1S/C11H16N2O3S/c1-11(2,3)16-10(15)12-6-4-8(14)9-5-7-13-17-9/h5,7H,4,6H2,1-3H3,(H,12,15)
InChIKeyMTPTXMKXHLCUMN-UHFFFAOYSA-N
MW256.33 g/mol
LogP2.24
Rot. Bonds4

About tert-butyl N-[3-oxo-3-(1,2-thiazol-5-yl)propyl]carbamate

tert-butyl N-[3-oxo-3-(1,2-thiazol-5-yl)propyl]carbamate (PubChem CID 90713548) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is tert-butyl N-[3-oxo-3-(1,2-thiazol-5-yl)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-oxo-3-(1,2-thiazol-5-yl)propyl]carbamate
PubChem CID90713548
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Nametert-butyl N-[3-oxo-3-(1,2-thiazol-5-yl)propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC(=O)c1ccns1
InChIInChI=1S/C11H16N2O3S/c1-11(2,3)16-10(15)12-6-4-8(14)9-5-7-13-17-9/h5,7H,4,6H2,1-3H3,(H,12,15)
InChIKeyMTPTXMKXHLCUMN-UHFFFAOYSA-N
XLogP2.24
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-oxo-3-(1,2-thiazol-5-yl)propyl]carbamate?
The IUPAC name of tert-butyl N-[3-oxo-3-(1,2-thiazol-5-yl)propyl]carbamate (CID 90713548) is tert-butyl N-[3-oxo-3-(1,2-thiazol-5-yl)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-oxo-3-(1,2-thiazol-5-yl)propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-oxo-3-(1,2-thiazol-5-yl)propyl]carbamate is CC(C)(C)OC(=O)NCCC(=O)c1ccns1.
What is the InChIKey of tert-butyl N-[3-oxo-3-(1,2-thiazol-5-yl)propyl]carbamate?
The InChIKey is MTPTXMKXHLCUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-11(2,3)16-10(15)12-6-4-8(14)9-5-7-13-17-9/h5,7H,4,6H2,1-3H3,(H,12,15).
What are the key properties of tert-butyl N-[3-oxo-3-(1,2-thiazol-5-yl)propyl]carbamate?
tert-butyl N-[3-oxo-3-(1,2-thiazol-5-yl)propyl]carbamate has a molecular weight of 256.33 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-oxo-3-(1,2-thiazol-5-yl)propyl]carbamate is sourced from PubChem (CID 90713548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).