3-(6-fluoro-2,3-dihydroindol-1-yl)-3-oxopropanethioamide

C11H11FN2OS — CID 103495606

IUPAC3-(6-fluoro-2,3-dihydroindol-1-yl)-3-oxopropanethioamide
SMILESNC(=S)CC(=O)N1CCc2ccc(F)cc21
InChIInChI=1S/C11H11FN2OS/c12-8-2-1-7-3-4-14(9(7)5-8)11(15)6-10(13)16/h1-2,5H,3-4,6H2,(H2,13,16)
InChIKeyLZAYGZMADKNOSH-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.39
Rot. Bonds2

About 3-(6-fluoro-2,3-dihydroindol-1-yl)-3-oxopropanethioamide

3-(6-fluoro-2,3-dihydroindol-1-yl)-3-oxopropanethioamide (PubChem CID 103495606) has the molecular formula C11H11FN2OS and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-(6-fluoro-2,3-dihydroindol-1-yl)-3-oxopropanethioamide.

Molecular Properties

Compound Name3-(6-fluoro-2,3-dihydroindol-1-yl)-3-oxopropanethioamide
PubChem CID103495606
Molecular FormulaC11H11FN2OS
Molecular Weight238.29 g/mol
Exact Mass238.06
IUPAC Name3-(6-fluoro-2,3-dihydroindol-1-yl)-3-oxopropanethioamide
SMILESNC(=S)CC(=O)N1CCc2ccc(F)cc21
InChIInChI=1S/C11H11FN2OS/c12-8-2-1-7-3-4-14(9(7)5-8)11(15)6-10(13)16/h1-2,5H,3-4,6H2,(H2,13,16)
InChIKeyLZAYGZMADKNOSH-UHFFFAOYSA-N
XLogP1.39
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(6-fluoro-2,3-dihydroindol-1-yl)-3-oxopropanethioamide with MolForge

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

Launch Full Analysis

Related Compounds

3-(6-fluoro-2,3-dihydroindol-1-yl)-3-oxopropanoic acid
CID 103502359
2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone
CID 103796139
1-(6-fluoro-2,3-dihydroindol-1-yl)-2-(methylamino)ethanone;hydrochloride
CID 119760474
2-amino-N-[2-(6-fluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]acetamide
CID 104872444
2-[2-(aminomethyl)phenyl]-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone
CID 103495285
2-(6-fluoro-2,3-dihydroindole-1-carbonyl)-2-methylbutanethioamide
CID 103495616
1-(6-fluoro-2,3-dihydroindol-1-yl)-3-methoxypropan-1-one
CID 126779263
5-(6-fluoro-2,3-dihydroindol-1-yl)-3,3-dimethyl-5-oxopentanoic acid
CID 103494270
2-(3,4-difluorophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone
CID 136513866
2-(3-aminophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)ethanone
CID 103493820
1-(6-fluoro-2,3-dihydroindol-1-yl)-3,4,4-trimethylpentan-1-one
CID 86901344
(2S)-2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-one
CID 103796136

Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-2,3-dihydroindol-1-yl)-3-oxopropanethioamide?
The IUPAC name of 3-(6-fluoro-2,3-dihydroindol-1-yl)-3-oxopropanethioamide (CID 103495606) is 3-(6-fluoro-2,3-dihydroindol-1-yl)-3-oxopropanethioamide.
What is the SMILES notation for 3-(6-fluoro-2,3-dihydroindol-1-yl)-3-oxopropanethioamide?
The canonical SMILES for 3-(6-fluoro-2,3-dihydroindol-1-yl)-3-oxopropanethioamide is NC(=S)CC(=O)N1CCc2ccc(F)cc21.
What is the InChIKey of 3-(6-fluoro-2,3-dihydroindol-1-yl)-3-oxopropanethioamide?
The InChIKey is LZAYGZMADKNOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2OS/c12-8-2-1-7-3-4-14(9(7)5-8)11(15)6-10(13)16/h1-2,5H,3-4,6H2,(H2,13,16).
What are the key properties of 3-(6-fluoro-2,3-dihydroindol-1-yl)-3-oxopropanethioamide?
3-(6-fluoro-2,3-dihydroindol-1-yl)-3-oxopropanethioamide has a molecular weight of 238.29 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-2,3-dihydroindol-1-yl)-3-oxopropanethioamide is sourced from PubChem (CID 103495606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).