4-(6-fluoro-2,3-dihydroindol-1-yl)-2,2-dimethylbutanethioamide

C14H19FN2S — CID 103495730

IUPAC4-(6-fluoro-2,3-dihydroindol-1-yl)-2,2-dimethylbutanethioamide
SMILESCC(C)(CCN1CCc2ccc(F)cc21)C(N)=S
InChIInChI=1S/C14H19FN2S/c1-14(2,13(16)18)6-8-17-7-5-10-3-4-11(15)9-12(10)17/h3-4,9H,5-8H2,1-2H3,(H2,16,18)
InChIKeyCLSDWYOFDFDHMY-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.89
Rot. Bonds4

About 4-(6-fluoro-2,3-dihydroindol-1-yl)-2,2-dimethylbutanethioamide

4-(6-fluoro-2,3-dihydroindol-1-yl)-2,2-dimethylbutanethioamide (PubChem CID 103495730) has the molecular formula C14H19FN2S and a molecular weight of 266.38 g/mol. Its IUPAC name is 4-(6-fluoro-2,3-dihydroindol-1-yl)-2,2-dimethylbutanethioamide.

Molecular Properties

Compound Name4-(6-fluoro-2,3-dihydroindol-1-yl)-2,2-dimethylbutanethioamide
PubChem CID103495730
Molecular FormulaC14H19FN2S
Molecular Weight266.38 g/mol
Exact Mass266.13
IUPAC Name4-(6-fluoro-2,3-dihydroindol-1-yl)-2,2-dimethylbutanethioamide
SMILESCC(C)(CCN1CCc2ccc(F)cc21)C(N)=S
InChIInChI=1S/C14H19FN2S/c1-14(2,13(16)18)6-8-17-7-5-10-3-4-11(15)9-12(10)17/h3-4,9H,5-8H2,1-2H3,(H2,16,18)
InChIKeyCLSDWYOFDFDHMY-UHFFFAOYSA-N
XLogP2.89
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(6-fluoro-2,3-dihydroindol-1-yl)-2,2-dimethylbutanethioamide 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

1,3,3-Trimethyl-2-methyleneindoline
CID 8351
2-Indolinethione
CID 3032310
1-Methyl-2,3-dihydro-1H-indole
CID 55830
1,3-Dihydro-1-methyl-2H-indole-2-thione
CID 26156
2-Indolinethione, 1,3-dimethyl-
CID 26157
5-Fluoroindoline
CID 2774463
N-(4-fluorophenyl)-1-indolinecarbothioamide
CID 681189
2-(2,3-dihydroindol-1-yl)-N,N-dimethylethanamine
CID 744368
(S)-2-(5-Fluoro-6-iodo-2,3-dihydro-indol-1-yl)-1-methyl-ethylamine
CID 18735305
1H-Indole, 2,3-dihydro-1-(trifluoromethyl)-
CID 10877857
2-(2,3-dihydro-1H-indol-3-yl)-N,N-dimethylethanamine
CID 11074217
2-(2,3-dihydro-1H-indol-1-yl)ethan-1-amine
CID 1072384

Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoro-2,3-dihydroindol-1-yl)-2,2-dimethylbutanethioamide?
The IUPAC name of 4-(6-fluoro-2,3-dihydroindol-1-yl)-2,2-dimethylbutanethioamide (CID 103495730) is 4-(6-fluoro-2,3-dihydroindol-1-yl)-2,2-dimethylbutanethioamide.
What is the SMILES notation for 4-(6-fluoro-2,3-dihydroindol-1-yl)-2,2-dimethylbutanethioamide?
The canonical SMILES for 4-(6-fluoro-2,3-dihydroindol-1-yl)-2,2-dimethylbutanethioamide is CC(C)(CCN1CCc2ccc(F)cc21)C(N)=S.
What is the InChIKey of 4-(6-fluoro-2,3-dihydroindol-1-yl)-2,2-dimethylbutanethioamide?
The InChIKey is CLSDWYOFDFDHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2S/c1-14(2,13(16)18)6-8-17-7-5-10-3-4-11(15)9-12(10)17/h3-4,9H,5-8H2,1-2H3,(H2,16,18).
What are the key properties of 4-(6-fluoro-2,3-dihydroindol-1-yl)-2,2-dimethylbutanethioamide?
4-(6-fluoro-2,3-dihydroindol-1-yl)-2,2-dimethylbutanethioamide has a molecular weight of 266.38 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoro-2,3-dihydroindol-1-yl)-2,2-dimethylbutanethioamide is sourced from PubChem (CID 103495730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).