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

C17H15NOS — CID 2413

IUPAC9b-(3-methylphenyl)-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one
SMILESCc1cccc(C23SCCN2C(=O)c2ccccc23)c1
InChIInChI=1S/C17H15NOS/c1-12-5-4-6-13(11-12)17-15-8-3-2-7-14(15)16(19)18(17)9-10-20-17/h2-8,11H,9-10H2,1H3
InChIKeyFQVDJZWFSZSGGA-UHFFFAOYSA-N
MW281.38 g/mol
LogP3.40
Rot. Bonds1

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

9b-(3-methylphenyl)-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one (PubChem CID 2413) has the molecular formula C17H15NOS and a molecular weight of 281.38 g/mol. Its IUPAC name is 9b-(3-methylphenyl)-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one.

Molecular Properties

Compound Name9b-(3-methylphenyl)-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one
PubChem CID2413
Molecular FormulaC17H15NOS
Molecular Weight281.38 g/mol
Exact Mass281.09
IUPAC Name9b-(3-methylphenyl)-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one
SMILESCc1cccc(C23SCCN2C(=O)c2ccccc23)c1
InChIInChI=1S/C17H15NOS/c1-12-5-4-6-13(11-12)17-15-8-3-2-7-14(15)16(19)18(17)9-10-20-17/h2-8,11H,9-10H2,1H3
InChIKeyFQVDJZWFSZSGGA-UHFFFAOYSA-N
XLogP3.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9b-(3-methylphenyl)-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one?
The IUPAC name of 9b-(3-methylphenyl)-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one (CID 2413) is 9b-(3-methylphenyl)-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one.
What is the SMILES notation for 9b-(3-methylphenyl)-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one?
The canonical SMILES for 9b-(3-methylphenyl)-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one is Cc1cccc(C23SCCN2C(=O)c2ccccc23)c1.
What is the InChIKey of 9b-(3-methylphenyl)-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one?
The InChIKey is FQVDJZWFSZSGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NOS/c1-12-5-4-6-13(11-12)17-15-8-3-2-7-14(15)16(19)18(17)9-10-20-17/h2-8,11H,9-10H2,1H3.
What are the key properties of 9b-(3-methylphenyl)-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one?
9b-(3-methylphenyl)-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one has a molecular weight of 281.38 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9b-(3-methylphenyl)-2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-one is sourced from PubChem (CID 2413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).