9b-(9H-carbazol-1-yl)-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one

C22H16N2OS — CID 23178276

IUPAC9b-(9H-carbazol-1-yl)-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one
SMILESO=C1c2ccccc2C2(c3cccc4c3[nH]c3ccccc34)SCCN12
InChIInChI=1S/C22H16N2OS/c25-21-16-7-1-3-9-17(16)22(24(21)12-13-26-22)18-10-5-8-15-14-6-2-4-11-19(14)23-20(15)18/h1-11,23H,12-13H2
InChIKeyQMHNSGRPFOLABN-UHFFFAOYSA-N
MW356.45 g/mol
LogP4.72
Rot. Bonds1

About 9b-(9H-carbazol-1-yl)-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one

9b-(9H-carbazol-1-yl)-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one (PubChem CID 23178276) has the molecular formula C22H16N2OS and a molecular weight of 356.45 g/mol. Its IUPAC name is 9b-(9H-carbazol-1-yl)-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one.

Molecular Properties

Compound Name9b-(9H-carbazol-1-yl)-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one
PubChem CID23178276
Molecular FormulaC22H16N2OS
Molecular Weight356.45 g/mol
Exact Mass356.10
IUPAC Name9b-(9H-carbazol-1-yl)-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one
SMILESO=C1c2ccccc2C2(c3cccc4c3[nH]c3ccccc34)SCCN12
InChIInChI=1S/C22H16N2OS/c25-21-16-7-1-3-9-17(16)22(24(21)12-13-26-22)18-10-5-8-15-14-6-2-4-11-19(14)23-20(15)18/h1-11,23H,12-13H2
InChIKeyQMHNSGRPFOLABN-UHFFFAOYSA-N
XLogP4.72
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9b-(9H-carbazol-1-yl)-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one?
The IUPAC name of 9b-(9H-carbazol-1-yl)-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one (CID 23178276) is 9b-(9H-carbazol-1-yl)-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one.
What is the SMILES notation for 9b-(9H-carbazol-1-yl)-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one?
The canonical SMILES for 9b-(9H-carbazol-1-yl)-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one is O=C1c2ccccc2C2(c3cccc4c3[nH]c3ccccc34)SCCN12.
What is the InChIKey of 9b-(9H-carbazol-1-yl)-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one?
The InChIKey is QMHNSGRPFOLABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2OS/c25-21-16-7-1-3-9-17(16)22(24(21)12-13-26-22)18-10-5-8-15-14-6-2-4-11-19(14)23-20(15)18/h1-11,23H,12-13H2.
What are the key properties of 9b-(9H-carbazol-1-yl)-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one?
9b-(9H-carbazol-1-yl)-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one has a molecular weight of 356.45 g/mol, XLogP of 4.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9b-(9H-carbazol-1-yl)-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one is sourced from PubChem (CID 23178276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).