9b-(2,3-dihydro-1H-inden-4-yl)-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one

C19H17NOS — CID 5327601

IUPAC9b-(2,3-dihydro-1H-inden-4-yl)-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one
SMILESO=C1c2ccccc2C2(c3cccc4c3CCC4)SCCN12
InChIInChI=1S/C19H17NOS/c21-18-15-7-1-2-9-17(15)19(20(18)11-12-22-19)16-10-4-6-13-5-3-8-14(13)16/h1-2,4,6-7,9-10H,3,5,8,11-12H2
InChIKeyAIHOBDQDDSOPCX-UHFFFAOYSA-N
MW307.42 g/mol
LogP3.58
Rot. Bonds1

About 9b-(2,3-dihydro-1H-inden-4-yl)-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one

9b-(2,3-dihydro-1H-inden-4-yl)-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one (PubChem CID 5327601) has the molecular formula C19H17NOS and a molecular weight of 307.42 g/mol. Its IUPAC name is 9b-(2,3-dihydro-1H-inden-4-yl)-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one.

Molecular Properties

Compound Name9b-(2,3-dihydro-1H-inden-4-yl)-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one
PubChem CID5327601
Molecular FormulaC19H17NOS
Molecular Weight307.42 g/mol
Exact Mass307.10
IUPAC Name9b-(2,3-dihydro-1H-inden-4-yl)-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one
SMILESO=C1c2ccccc2C2(c3cccc4c3CCC4)SCCN12
InChIInChI=1S/C19H17NOS/c21-18-15-7-1-2-9-17(15)19(20(18)11-12-22-19)16-10-4-6-13-5-3-8-14(13)16/h1-2,4,6-7,9-10H,3,5,8,11-12H2
InChIKeyAIHOBDQDDSOPCX-UHFFFAOYSA-N
XLogP3.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9b-(2,3-dihydro-1H-inden-4-yl)-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one?
The IUPAC name of 9b-(2,3-dihydro-1H-inden-4-yl)-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one (CID 5327601) is 9b-(2,3-dihydro-1H-inden-4-yl)-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one.
What is the SMILES notation for 9b-(2,3-dihydro-1H-inden-4-yl)-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one?
The canonical SMILES for 9b-(2,3-dihydro-1H-inden-4-yl)-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one is O=C1c2ccccc2C2(c3cccc4c3CCC4)SCCN12.
What is the InChIKey of 9b-(2,3-dihydro-1H-inden-4-yl)-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one?
The InChIKey is AIHOBDQDDSOPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NOS/c21-18-15-7-1-2-9-17(15)19(20(18)11-12-22-19)16-10-4-6-13-5-3-8-14(13)16/h1-2,4,6-7,9-10H,3,5,8,11-12H2.
What are the key properties of 9b-(2,3-dihydro-1H-inden-4-yl)-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one?
9b-(2,3-dihydro-1H-inden-4-yl)-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one has a molecular weight of 307.42 g/mol, XLogP of 3.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9b-(2,3-dihydro-1H-inden-4-yl)-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one is sourced from PubChem (CID 5327601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).