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

C14H21N3O4S — CID 91268149

IUPACtert-butyl N-[4-[2-(3-oxomorpholin-4-yl)ethyl]-1,3-thiazol-2-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1nc(CCN2CCOCC2=O)cs1
InChIInChI=1S/C14H21N3O4S/c1-14(2,3)21-13(19)16-12-15-10(9-22-12)4-5-17-6-7-20-8-11(17)18/h9H,4-8H2,1-3H3,(H,15,16,19)
InChIKeyASYQEXWZAPBBGC-UHFFFAOYSA-N
MW327.41 g/mol
LogP1.89
Rot. Bonds4

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

tert-butyl N-[4-[2-(3-oxomorpholin-4-yl)ethyl]-1,3-thiazol-2-yl]carbamate (PubChem CID 91268149) has the molecular formula C14H21N3O4S and a molecular weight of 327.41 g/mol. Its IUPAC name is tert-butyl N-[4-[2-(3-oxomorpholin-4-yl)ethyl]-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[2-(3-oxomorpholin-4-yl)ethyl]-1,3-thiazol-2-yl]carbamate
PubChem CID91268149
Molecular FormulaC14H21N3O4S
Molecular Weight327.41 g/mol
Exact Mass327.13
IUPAC Nametert-butyl N-[4-[2-(3-oxomorpholin-4-yl)ethyl]-1,3-thiazol-2-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1nc(CCN2CCOCC2=O)cs1
InChIInChI=1S/C14H21N3O4S/c1-14(2,3)21-13(19)16-12-15-10(9-22-12)4-5-17-6-7-20-8-11(17)18/h9H,4-8H2,1-3H3,(H,15,16,19)
InChIKeyASYQEXWZAPBBGC-UHFFFAOYSA-N
XLogP1.89
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[2-(3-oxomorpholin-4-yl)ethyl]-1,3-thiazol-2-yl]carbamate?
The IUPAC name of tert-butyl N-[4-[2-(3-oxomorpholin-4-yl)ethyl]-1,3-thiazol-2-yl]carbamate (CID 91268149) is tert-butyl N-[4-[2-(3-oxomorpholin-4-yl)ethyl]-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[2-(3-oxomorpholin-4-yl)ethyl]-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-[2-(3-oxomorpholin-4-yl)ethyl]-1,3-thiazol-2-yl]carbamate is CC(C)(C)OC(=O)Nc1nc(CCN2CCOCC2=O)cs1.
What is the InChIKey of tert-butyl N-[4-[2-(3-oxomorpholin-4-yl)ethyl]-1,3-thiazol-2-yl]carbamate?
The InChIKey is ASYQEXWZAPBBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4S/c1-14(2,3)21-13(19)16-12-15-10(9-22-12)4-5-17-6-7-20-8-11(17)18/h9H,4-8H2,1-3H3,(H,15,16,19).
What are the key properties of tert-butyl N-[4-[2-(3-oxomorpholin-4-yl)ethyl]-1,3-thiazol-2-yl]carbamate?
tert-butyl N-[4-[2-(3-oxomorpholin-4-yl)ethyl]-1,3-thiazol-2-yl]carbamate has a molecular weight of 327.41 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[2-(3-oxomorpholin-4-yl)ethyl]-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 91268149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).