3-[2-(1,2-thiazol-5-yl)ethylidene]-1H-indol-2-one

C13H10N2OS — CID 70121084

IUPAC3-[2-(1,2-thiazol-5-yl)ethylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2C1=CCc1ccns1
InChIInChI=1S/C13H10N2OS/c16-13-11(6-5-9-7-8-14-17-9)10-3-1-2-4-12(10)15-13/h1-4,6-8H,5H2,(H,15,16)
InChIKeyYWBJHUSNNUSNPW-UHFFFAOYSA-N
MW242.30 g/mol
LogP2.72
Rot. Bonds2

About 3-[2-(1,2-thiazol-5-yl)ethylidene]-1H-indol-2-one

3-[2-(1,2-thiazol-5-yl)ethylidene]-1H-indol-2-one (PubChem CID 70121084) has the molecular formula C13H10N2OS and a molecular weight of 242.30 g/mol. Its IUPAC name is 3-[2-(1,2-thiazol-5-yl)ethylidene]-1H-indol-2-one.

Molecular Properties

Compound Name3-[2-(1,2-thiazol-5-yl)ethylidene]-1H-indol-2-one
PubChem CID70121084
Molecular FormulaC13H10N2OS
Molecular Weight242.30 g/mol
Exact Mass242.05
IUPAC Name3-[2-(1,2-thiazol-5-yl)ethylidene]-1H-indol-2-one
SMILESO=C1Nc2ccccc2C1=CCc1ccns1
InChIInChI=1S/C13H10N2OS/c16-13-11(6-5-9-7-8-14-17-9)10-3-1-2-4-12(10)15-13/h1-4,6-8H,5H2,(H,15,16)
InChIKeyYWBJHUSNNUSNPW-UHFFFAOYSA-N
XLogP2.72
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(1,2-thiazol-5-yl)ethylidene]-1H-indol-2-one?
The IUPAC name of 3-[2-(1,2-thiazol-5-yl)ethylidene]-1H-indol-2-one (CID 70121084) is 3-[2-(1,2-thiazol-5-yl)ethylidene]-1H-indol-2-one.
What is the SMILES notation for 3-[2-(1,2-thiazol-5-yl)ethylidene]-1H-indol-2-one?
The canonical SMILES for 3-[2-(1,2-thiazol-5-yl)ethylidene]-1H-indol-2-one is O=C1Nc2ccccc2C1=CCc1ccns1.
What is the InChIKey of 3-[2-(1,2-thiazol-5-yl)ethylidene]-1H-indol-2-one?
The InChIKey is YWBJHUSNNUSNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2OS/c16-13-11(6-5-9-7-8-14-17-9)10-3-1-2-4-12(10)15-13/h1-4,6-8H,5H2,(H,15,16).
What are the key properties of 3-[2-(1,2-thiazol-5-yl)ethylidene]-1H-indol-2-one?
3-[2-(1,2-thiazol-5-yl)ethylidene]-1H-indol-2-one has a molecular weight of 242.30 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1,2-thiazol-5-yl)ethylidene]-1H-indol-2-one is sourced from PubChem (CID 70121084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).