3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzothiazol-2-one

C13H14N2O3S — CID 800208

IUPAC3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzothiazol-2-one
SMILESO=C(Cn1c(=O)sc2ccccc21)N1CCOCC1
InChIInChI=1S/C13H14N2O3S/c16-12(14-5-7-18-8-6-14)9-15-10-3-1-2-4-11(10)19-13(15)17/h1-4H,5-9H2
InChIKeyOHCAHYUISQHMTQ-UHFFFAOYSA-N
MW278.33 g/mol
LogP0.92
Rot. Bonds2

About 3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzothiazol-2-one

3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzothiazol-2-one (PubChem CID 800208) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is 3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzothiazol-2-one.

Molecular Properties

Compound Name3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzothiazol-2-one
PubChem CID800208
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzothiazol-2-one
SMILESO=C(Cn1c(=O)sc2ccccc21)N1CCOCC1
InChIInChI=1S/C13H14N2O3S/c16-12(14-5-7-18-8-6-14)9-15-10-3-1-2-4-11(10)19-13(15)17/h1-4H,5-9H2
InChIKeyOHCAHYUISQHMTQ-UHFFFAOYSA-N
XLogP0.92
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzothiazol-2-one?
The IUPAC name of 3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzothiazol-2-one (CID 800208) is 3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzothiazol-2-one.
What is the SMILES notation for 3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzothiazol-2-one?
The canonical SMILES for 3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzothiazol-2-one is O=C(Cn1c(=O)sc2ccccc21)N1CCOCC1.
What is the InChIKey of 3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzothiazol-2-one?
The InChIKey is OHCAHYUISQHMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c16-12(14-5-7-18-8-6-14)9-15-10-3-1-2-4-11(10)19-13(15)17/h1-4H,5-9H2.
What are the key properties of 3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzothiazol-2-one?
3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzothiazol-2-one has a molecular weight of 278.33 g/mol, XLogP of 0.92, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzothiazol-2-one is sourced from PubChem (CID 800208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).