5-thiophen-2-ylisoindol-1-one

C12H7NOS — CID 118276768

IUPAC5-thiophen-2-ylisoindol-1-one
SMILESO=C1N=Cc2cc(-c3cccs3)ccc21
InChIInChI=1S/C12H7NOS/c14-12-10-4-3-8(6-9(10)7-13-12)11-2-1-5-15-11/h1-7H
InChIKeyJBTSOUWDOHNTQI-UHFFFAOYSA-N
MW213.26 g/mol
LogP2.99
Rot. Bonds1

About 5-thiophen-2-ylisoindol-1-one

5-thiophen-2-ylisoindol-1-one (PubChem CID 118276768) has the molecular formula C12H7NOS and a molecular weight of 213.26 g/mol. Its IUPAC name is 5-thiophen-2-ylisoindol-1-one.

Molecular Properties

Compound Name5-thiophen-2-ylisoindol-1-one
PubChem CID118276768
Molecular FormulaC12H7NOS
Molecular Weight213.26 g/mol
Exact Mass213.02
IUPAC Name5-thiophen-2-ylisoindol-1-one
SMILESO=C1N=Cc2cc(-c3cccs3)ccc21
InChIInChI=1S/C12H7NOS/c14-12-10-4-3-8(6-9(10)7-13-12)11-2-1-5-15-11/h1-7H
InChIKeyJBTSOUWDOHNTQI-UHFFFAOYSA-N
XLogP2.99
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-thiophen-2-ylisoindol-1-one?
The IUPAC name of 5-thiophen-2-ylisoindol-1-one (CID 118276768) is 5-thiophen-2-ylisoindol-1-one.
What is the SMILES notation for 5-thiophen-2-ylisoindol-1-one?
The canonical SMILES for 5-thiophen-2-ylisoindol-1-one is O=C1N=Cc2cc(-c3cccs3)ccc21.
What is the InChIKey of 5-thiophen-2-ylisoindol-1-one?
The InChIKey is JBTSOUWDOHNTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7NOS/c14-12-10-4-3-8(6-9(10)7-13-12)11-2-1-5-15-11/h1-7H.
What are the key properties of 5-thiophen-2-ylisoindol-1-one?
5-thiophen-2-ylisoindol-1-one has a molecular weight of 213.26 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiophen-2-ylisoindol-1-one is sourced from PubChem (CID 118276768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).