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

C17H18N2O2S — CID 11998444

IUPAC2-morpholin-4-yl-5-phenyl-5,6-dihydro-4H-1,3-benzothiazol-7-one
SMILESO=C1CC(c2ccccc2)Cc2nc(N3CCOCC3)sc21
InChIInChI=1S/C17H18N2O2S/c20-15-11-13(12-4-2-1-3-5-12)10-14-16(15)22-17(18-14)19-6-8-21-9-7-19/h1-5,13H,6-11H2
InChIKeyPXHHIYYSNZMGJO-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.89
Rot. Bonds2

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

2-morpholin-4-yl-5-phenyl-5,6-dihydro-4H-1,3-benzothiazol-7-one (PubChem CID 11998444) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is 2-morpholin-4-yl-5-phenyl-5,6-dihydro-4H-1,3-benzothiazol-7-one.

Molecular Properties

Compound Name2-morpholin-4-yl-5-phenyl-5,6-dihydro-4H-1,3-benzothiazol-7-one
PubChem CID11998444
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC Name2-morpholin-4-yl-5-phenyl-5,6-dihydro-4H-1,3-benzothiazol-7-one
SMILESO=C1CC(c2ccccc2)Cc2nc(N3CCOCC3)sc21
InChIInChI=1S/C17H18N2O2S/c20-15-11-13(12-4-2-1-3-5-12)10-14-16(15)22-17(18-14)19-6-8-21-9-7-19/h1-5,13H,6-11H2
InChIKeyPXHHIYYSNZMGJO-UHFFFAOYSA-N
XLogP2.89
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.89
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-phenyl-5,6-dihydro-4H-1,3-benzothiazol-7-one?
The IUPAC name of 2-morpholin-4-yl-5-phenyl-5,6-dihydro-4H-1,3-benzothiazol-7-one (CID 11998444) is 2-morpholin-4-yl-5-phenyl-5,6-dihydro-4H-1,3-benzothiazol-7-one.
What is the SMILES notation for 2-morpholin-4-yl-5-phenyl-5,6-dihydro-4H-1,3-benzothiazol-7-one?
The canonical SMILES for 2-morpholin-4-yl-5-phenyl-5,6-dihydro-4H-1,3-benzothiazol-7-one is O=C1CC(c2ccccc2)Cc2nc(N3CCOCC3)sc21.
What is the InChIKey of 2-morpholin-4-yl-5-phenyl-5,6-dihydro-4H-1,3-benzothiazol-7-one?
The InChIKey is PXHHIYYSNZMGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c20-15-11-13(12-4-2-1-3-5-12)10-14-16(15)22-17(18-14)19-6-8-21-9-7-19/h1-5,13H,6-11H2.
What are the key properties of 2-morpholin-4-yl-5-phenyl-5,6-dihydro-4H-1,3-benzothiazol-7-one?
2-morpholin-4-yl-5-phenyl-5,6-dihydro-4H-1,3-benzothiazol-7-one has a molecular weight of 314.41 g/mol, XLogP of 2.89, 2 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-phenyl-5,6-dihydro-4H-1,3-benzothiazol-7-one is sourced from PubChem (CID 11998444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).