1-[1-(1,3-thiazol-2-yl)indol-3-yl]ethanone

C13H10N2OS — CID 118447244

IUPAC1-[1-(1,3-thiazol-2-yl)indol-3-yl]ethanone
SMILESCC(=O)c1cn(-c2nccs2)c2ccccc12
InChIInChI=1S/C13H10N2OS/c1-9(16)11-8-15(13-14-6-7-17-13)12-5-3-2-4-10(11)12/h2-8H,1H3
InChIKeyFCYCAJJAUDJKJS-UHFFFAOYSA-N
MW242.30 g/mol
LogP3.29
Rot. Bonds2

About 1-[1-(1,3-thiazol-2-yl)indol-3-yl]ethanone

1-[1-(1,3-thiazol-2-yl)indol-3-yl]ethanone (PubChem CID 118447244) has the molecular formula C13H10N2OS and a molecular weight of 242.30 g/mol. Its IUPAC name is 1-[1-(1,3-thiazol-2-yl)indol-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-(1,3-thiazol-2-yl)indol-3-yl]ethanone
PubChem CID118447244
Molecular FormulaC13H10N2OS
Molecular Weight242.30 g/mol
Exact Mass242.05
IUPAC Name1-[1-(1,3-thiazol-2-yl)indol-3-yl]ethanone
SMILESCC(=O)c1cn(-c2nccs2)c2ccccc12
InChIInChI=1S/C13H10N2OS/c1-9(16)11-8-15(13-14-6-7-17-13)12-5-3-2-4-10(11)12/h2-8H,1H3
InChIKeyFCYCAJJAUDJKJS-UHFFFAOYSA-N
XLogP3.29
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[1-(1,3-thiazol-2-yl)indol-3-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,3-thiazol-2-yl)indol-3-yl]ethanone?
The IUPAC name of 1-[1-(1,3-thiazol-2-yl)indol-3-yl]ethanone (CID 118447244) is 1-[1-(1,3-thiazol-2-yl)indol-3-yl]ethanone.
What is the SMILES notation for 1-[1-(1,3-thiazol-2-yl)indol-3-yl]ethanone?
The canonical SMILES for 1-[1-(1,3-thiazol-2-yl)indol-3-yl]ethanone is CC(=O)c1cn(-c2nccs2)c2ccccc12.
What is the InChIKey of 1-[1-(1,3-thiazol-2-yl)indol-3-yl]ethanone?
The InChIKey is FCYCAJJAUDJKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2OS/c1-9(16)11-8-15(13-14-6-7-17-13)12-5-3-2-4-10(11)12/h2-8H,1H3.
What are the key properties of 1-[1-(1,3-thiazol-2-yl)indol-3-yl]ethanone?
1-[1-(1,3-thiazol-2-yl)indol-3-yl]ethanone has a molecular weight of 242.30 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,3-thiazol-2-yl)indol-3-yl]ethanone is sourced from PubChem (CID 118447244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).