2-morpholin-4-yl-5,6-dihydro-4H-1,3-benzothiazol-7-one

C11H14N2O2S — CID 617191

IUPAC2-morpholin-4-yl-5,6-dihydro-4H-1,3-benzothiazol-7-one
SMILESO=C1CCCc2nc(N3CCOCC3)sc21
InChIInChI=1S/C11H14N2O2S/c14-9-3-1-2-8-10(9)16-11(12-8)13-4-6-15-7-5-13/h1-7H2
InChIKeyKMKJCACZZADDPZ-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.50
Rot. Bonds1

About 2-morpholin-4-yl-5,6-dihydro-4H-1,3-benzothiazol-7-one

2-morpholin-4-yl-5,6-dihydro-4H-1,3-benzothiazol-7-one (PubChem CID 617191) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-morpholin-4-yl-5,6-dihydro-4H-1,3-benzothiazol-7-one.

Molecular Properties

Compound Name2-morpholin-4-yl-5,6-dihydro-4H-1,3-benzothiazol-7-one
PubChem CID617191
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC Name2-morpholin-4-yl-5,6-dihydro-4H-1,3-benzothiazol-7-one
SMILESO=C1CCCc2nc(N3CCOCC3)sc21
InChIInChI=1S/C11H14N2O2S/c14-9-3-1-2-8-10(9)16-11(12-8)13-4-6-15-7-5-13/h1-7H2
InChIKeyKMKJCACZZADDPZ-UHFFFAOYSA-N
XLogP1.50
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-5,6-dihydro-4H-1,3-benzothiazol-7-one?
The IUPAC name of 2-morpholin-4-yl-5,6-dihydro-4H-1,3-benzothiazol-7-one (CID 617191) is 2-morpholin-4-yl-5,6-dihydro-4H-1,3-benzothiazol-7-one.
What is the SMILES notation for 2-morpholin-4-yl-5,6-dihydro-4H-1,3-benzothiazol-7-one?
The canonical SMILES for 2-morpholin-4-yl-5,6-dihydro-4H-1,3-benzothiazol-7-one is O=C1CCCc2nc(N3CCOCC3)sc21.
What is the InChIKey of 2-morpholin-4-yl-5,6-dihydro-4H-1,3-benzothiazol-7-one?
The InChIKey is KMKJCACZZADDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c14-9-3-1-2-8-10(9)16-11(12-8)13-4-6-15-7-5-13/h1-7H2.
What are the key properties of 2-morpholin-4-yl-5,6-dihydro-4H-1,3-benzothiazol-7-one?
2-morpholin-4-yl-5,6-dihydro-4H-1,3-benzothiazol-7-one has a molecular weight of 238.31 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-5,6-dihydro-4H-1,3-benzothiazol-7-one is sourced from PubChem (CID 617191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).