9b-[3-(dimethylamino)phenyl]-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one

C18H18N2OS — CID 23178303

IUPAC9b-[3-(dimethylamino)phenyl]-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one
SMILESCN(C)c1cccc(C23SCCN2C(=O)c2ccccc23)c1
InChIInChI=1S/C18H18N2OS/c1-19(2)14-7-5-6-13(12-14)18-16-9-4-3-8-15(16)17(21)20(18)10-11-22-18/h3-9,12H,10-11H2,1-2H3
InChIKeyVXJZXDLECKJJLU-UHFFFAOYSA-N
MW310.42 g/mol
LogP3.16
Rot. Bonds2

About 9b-[3-(dimethylamino)phenyl]-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one

9b-[3-(dimethylamino)phenyl]-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one (PubChem CID 23178303) has the molecular formula C18H18N2OS and a molecular weight of 310.42 g/mol. Its IUPAC name is 9b-[3-(dimethylamino)phenyl]-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one.

Molecular Properties

Compound Name9b-[3-(dimethylamino)phenyl]-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one
PubChem CID23178303
Molecular FormulaC18H18N2OS
Molecular Weight310.42 g/mol
Exact Mass310.11
IUPAC Name9b-[3-(dimethylamino)phenyl]-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one
SMILESCN(C)c1cccc(C23SCCN2C(=O)c2ccccc23)c1
InChIInChI=1S/C18H18N2OS/c1-19(2)14-7-5-6-13(12-14)18-16-9-4-3-8-15(16)17(21)20(18)10-11-22-18/h3-9,12H,10-11H2,1-2H3
InChIKeyVXJZXDLECKJJLU-UHFFFAOYSA-N
XLogP3.16
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9b-[3-(dimethylamino)phenyl]-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one?
The IUPAC name of 9b-[3-(dimethylamino)phenyl]-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one (CID 23178303) is 9b-[3-(dimethylamino)phenyl]-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one.
What is the SMILES notation for 9b-[3-(dimethylamino)phenyl]-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one?
The canonical SMILES for 9b-[3-(dimethylamino)phenyl]-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one is CN(C)c1cccc(C23SCCN2C(=O)c2ccccc23)c1.
What is the InChIKey of 9b-[3-(dimethylamino)phenyl]-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one?
The InChIKey is VXJZXDLECKJJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2OS/c1-19(2)14-7-5-6-13(12-14)18-16-9-4-3-8-15(16)17(21)20(18)10-11-22-18/h3-9,12H,10-11H2,1-2H3.
What are the key properties of 9b-[3-(dimethylamino)phenyl]-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one?
9b-[3-(dimethylamino)phenyl]-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one has a molecular weight of 310.42 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9b-[3-(dimethylamino)phenyl]-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one is sourced from PubChem (CID 23178303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).