2-(2,2,6-trimethylmorpholin-4-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one

C14H20N2O2S — CID 64976237

IUPAC2-(2,2,6-trimethylmorpholin-4-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one
SMILESCC1CN(c2nc3c(s2)CCCC3=O)CC(C)(C)O1
InChIInChI=1S/C14H20N2O2S/c1-9-7-16(8-14(2,3)18-9)13-15-12-10(17)5-4-6-11(12)19-13/h9H,4-8H2,1-3H3
InChIKeyGVYCMNRORWJYFA-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.67
Rot. Bonds1

About 2-(2,2,6-trimethylmorpholin-4-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one

2-(2,2,6-trimethylmorpholin-4-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one (PubChem CID 64976237) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-(2,2,6-trimethylmorpholin-4-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one.

Molecular Properties

Compound Name2-(2,2,6-trimethylmorpholin-4-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one
PubChem CID64976237
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name2-(2,2,6-trimethylmorpholin-4-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one
SMILESCC1CN(c2nc3c(s2)CCCC3=O)CC(C)(C)O1
InChIInChI=1S/C14H20N2O2S/c1-9-7-16(8-14(2,3)18-9)13-15-12-10(17)5-4-6-11(12)19-13/h9H,4-8H2,1-3H3
InChIKeyGVYCMNRORWJYFA-UHFFFAOYSA-N
XLogP2.67
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,6-trimethylmorpholin-4-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one?
The IUPAC name of 2-(2,2,6-trimethylmorpholin-4-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one (CID 64976237) is 2-(2,2,6-trimethylmorpholin-4-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one.
What is the SMILES notation for 2-(2,2,6-trimethylmorpholin-4-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one?
The canonical SMILES for 2-(2,2,6-trimethylmorpholin-4-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one is CC1CN(c2nc3c(s2)CCCC3=O)CC(C)(C)O1.
What is the InChIKey of 2-(2,2,6-trimethylmorpholin-4-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one?
The InChIKey is GVYCMNRORWJYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-9-7-16(8-14(2,3)18-9)13-15-12-10(17)5-4-6-11(12)19-13/h9H,4-8H2,1-3H3.
What are the key properties of 2-(2,2,6-trimethylmorpholin-4-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one?
2-(2,2,6-trimethylmorpholin-4-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one has a molecular weight of 280.39 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,6-trimethylmorpholin-4-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-one is sourced from PubChem (CID 64976237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).