2,6-di(propan-2-yl)-[1,3]thiazolo[4,5-e][1,3]oxazine-5,7-dione

C11H14N2O3S — CID 58748053

IUPAC2,6-di(propan-2-yl)-[1,3]thiazolo[4,5-e][1,3]oxazine-5,7-dione
SMILESCC(C)c1nc2c(=O)n(C(C)C)c(=O)oc2s1
InChIInChI=1S/C11H14N2O3S/c1-5(2)8-12-7-9(14)13(6(3)4)11(15)16-10(7)17-8/h5-6H,1-4H3
InChIKeyKIGMAZNGNVGAAX-UHFFFAOYSA-N
MW254.31 g/mol
LogP2.12
Rot. Bonds2

About 2,6-di(propan-2-yl)-[1,3]thiazolo[4,5-e][1,3]oxazine-5,7-dione

2,6-di(propan-2-yl)-[1,3]thiazolo[4,5-e][1,3]oxazine-5,7-dione (PubChem CID 58748053) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is 2,6-di(propan-2-yl)-[1,3]thiazolo[4,5-e][1,3]oxazine-5,7-dione.

Molecular Properties

Compound Name2,6-di(propan-2-yl)-[1,3]thiazolo[4,5-e][1,3]oxazine-5,7-dione
PubChem CID58748053
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name2,6-di(propan-2-yl)-[1,3]thiazolo[4,5-e][1,3]oxazine-5,7-dione
SMILESCC(C)c1nc2c(=O)n(C(C)C)c(=O)oc2s1
InChIInChI=1S/C11H14N2O3S/c1-5(2)8-12-7-9(14)13(6(3)4)11(15)16-10(7)17-8/h5-6H,1-4H3
InChIKeyKIGMAZNGNVGAAX-UHFFFAOYSA-N
XLogP2.12
TPSA65.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,6-di(propan-2-yl)-[1,3]thiazolo[4,5-e][1,3]oxazine-5,7-dione?
The IUPAC name of 2,6-di(propan-2-yl)-[1,3]thiazolo[4,5-e][1,3]oxazine-5,7-dione (CID 58748053) is 2,6-di(propan-2-yl)-[1,3]thiazolo[4,5-e][1,3]oxazine-5,7-dione.
What is the SMILES notation for 2,6-di(propan-2-yl)-[1,3]thiazolo[4,5-e][1,3]oxazine-5,7-dione?
The canonical SMILES for 2,6-di(propan-2-yl)-[1,3]thiazolo[4,5-e][1,3]oxazine-5,7-dione is CC(C)c1nc2c(=O)n(C(C)C)c(=O)oc2s1.
What is the InChIKey of 2,6-di(propan-2-yl)-[1,3]thiazolo[4,5-e][1,3]oxazine-5,7-dione?
The InChIKey is KIGMAZNGNVGAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-5(2)8-12-7-9(14)13(6(3)4)11(15)16-10(7)17-8/h5-6H,1-4H3.
What are the key properties of 2,6-di(propan-2-yl)-[1,3]thiazolo[4,5-e][1,3]oxazine-5,7-dione?
2,6-di(propan-2-yl)-[1,3]thiazolo[4,5-e][1,3]oxazine-5,7-dione has a molecular weight of 254.31 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-di(propan-2-yl)-[1,3]thiazolo[4,5-e][1,3]oxazine-5,7-dione is sourced from PubChem (CID 58748053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).