5-fluoro-3-[2-(4-thiophen-2-yl-1,2,3,6-tetrahydropyridin-2-yl)ethylsulfanylmethyl]-1H-indole

C20H21FN2S2 — CID 19848949

IUPAC5-fluoro-3-[2-(4-thiophen-2-yl-1,2,3,6-tetrahydropyridin-2-yl)ethylsulfanylmethyl]-1H-indole
SMILESFc1ccc2[nH]cc(CSCCC3CC(c4cccs4)=CCN3)c2c1
InChIInChI=1S/C20H21FN2S2/c21-16-3-4-19-18(11-16)15(12-23-19)13-24-9-6-17-10-14(5-7-22-17)20-2-1-8-25-20/h1-5,8,11-12,17,22-23H,6-7,9-10,13H2
InChIKeyGTALKNFOPGTMSN-UHFFFAOYSA-N
MW372.53 g/mol
LogP5.44
Rot. Bonds6

About 5-fluoro-3-[2-(4-thiophen-2-yl-1,2,3,6-tetrahydropyridin-2-yl)ethylsulfanylmethyl]-1H-indole

5-fluoro-3-[2-(4-thiophen-2-yl-1,2,3,6-tetrahydropyridin-2-yl)ethylsulfanylmethyl]-1H-indole (PubChem CID 19848949) has the molecular formula C20H21FN2S2 and a molecular weight of 372.53 g/mol. Its IUPAC name is 5-fluoro-3-[2-(4-thiophen-2-yl-1,2,3,6-tetrahydropyridin-2-yl)ethylsulfanylmethyl]-1H-indole.

Molecular Properties

Compound Name5-fluoro-3-[2-(4-thiophen-2-yl-1,2,3,6-tetrahydropyridin-2-yl)ethylsulfanylmethyl]-1H-indole
PubChem CID19848949
Molecular FormulaC20H21FN2S2
Molecular Weight372.53 g/mol
Exact Mass372.11
IUPAC Name5-fluoro-3-[2-(4-thiophen-2-yl-1,2,3,6-tetrahydropyridin-2-yl)ethylsulfanylmethyl]-1H-indole
SMILESFc1ccc2[nH]cc(CSCCC3CC(c4cccs4)=CCN3)c2c1
InChIInChI=1S/C20H21FN2S2/c21-16-3-4-19-18(11-16)15(12-23-19)13-24-9-6-17-10-14(5-7-22-17)20-2-1-8-25-20/h1-5,8,11-12,17,22-23H,6-7,9-10,13H2
InChIKeyGTALKNFOPGTMSN-UHFFFAOYSA-N
XLogP5.44
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.53
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-fluoro-3-[2-(4-thiophen-2-yl-1,2,3,6-tetrahydropyridin-2-yl)ethylsulfanylmethyl]-1H-indole 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 5-fluoro-3-[2-(4-thiophen-2-yl-1,2,3,6-tetrahydropyridin-2-yl)ethylsulfanylmethyl]-1H-indole?
The IUPAC name of 5-fluoro-3-[2-(4-thiophen-2-yl-1,2,3,6-tetrahydropyridin-2-yl)ethylsulfanylmethyl]-1H-indole (CID 19848949) is 5-fluoro-3-[2-(4-thiophen-2-yl-1,2,3,6-tetrahydropyridin-2-yl)ethylsulfanylmethyl]-1H-indole.
What is the SMILES notation for 5-fluoro-3-[2-(4-thiophen-2-yl-1,2,3,6-tetrahydropyridin-2-yl)ethylsulfanylmethyl]-1H-indole?
The canonical SMILES for 5-fluoro-3-[2-(4-thiophen-2-yl-1,2,3,6-tetrahydropyridin-2-yl)ethylsulfanylmethyl]-1H-indole is Fc1ccc2[nH]cc(CSCCC3CC(c4cccs4)=CCN3)c2c1.
What is the InChIKey of 5-fluoro-3-[2-(4-thiophen-2-yl-1,2,3,6-tetrahydropyridin-2-yl)ethylsulfanylmethyl]-1H-indole?
The InChIKey is GTALKNFOPGTMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2S2/c21-16-3-4-19-18(11-16)15(12-23-19)13-24-9-6-17-10-14(5-7-22-17)20-2-1-8-25-20/h1-5,8,11-12,17,22-23H,6-7,9-10,13H2.
What are the key properties of 5-fluoro-3-[2-(4-thiophen-2-yl-1,2,3,6-tetrahydropyridin-2-yl)ethylsulfanylmethyl]-1H-indole?
5-fluoro-3-[2-(4-thiophen-2-yl-1,2,3,6-tetrahydropyridin-2-yl)ethylsulfanylmethyl]-1H-indole has a molecular weight of 372.53 g/mol, XLogP of 5.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-[2-(4-thiophen-2-yl-1,2,3,6-tetrahydropyridin-2-yl)ethylsulfanylmethyl]-1H-indole is sourced from PubChem (CID 19848949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).