N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3,4-dihydro-2H-thiochromene-4-carboxamide

C19H19FN2OS — CID 120882268

IUPACN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3,4-dihydro-2H-thiochromene-4-carboxamide
SMILESO=C(Nc1ccc2c(c1F)CCNC2)C1CCSc2ccccc21
InChIInChI=1S/C19H19FN2OS/c20-18-13-7-9-21-11-12(13)5-6-16(18)22-19(23)15-8-10-24-17-4-2-1-3-14(15)17/h1-6,15,21H,7-11H2,(H,22,23)
InChIKeyHQHAGXMNSHVWEA-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.69
Rot. Bonds2

About N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3,4-dihydro-2H-thiochromene-4-carboxamide

N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3,4-dihydro-2H-thiochromene-4-carboxamide (PubChem CID 120882268) has the molecular formula C19H19FN2OS and a molecular weight of 342.44 g/mol. Its IUPAC name is N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3,4-dihydro-2H-thiochromene-4-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3,4-dihydro-2H-thiochromene-4-carboxamide
PubChem CID120882268
Molecular FormulaC19H19FN2OS
Molecular Weight342.44 g/mol
Exact Mass342.12
IUPAC NameN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3,4-dihydro-2H-thiochromene-4-carboxamide
SMILESO=C(Nc1ccc2c(c1F)CCNC2)C1CCSc2ccccc21
InChIInChI=1S/C19H19FN2OS/c20-18-13-7-9-21-11-12(13)5-6-16(18)22-19(23)15-8-10-24-17-4-2-1-3-14(15)17/h1-6,15,21H,7-11H2,(H,22,23)
InChIKeyHQHAGXMNSHVWEA-UHFFFAOYSA-N
XLogP3.69
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3,4-dihydro-2H-thiochromene-4-carboxamide with MolForge

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Related Compounds

N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)cyclopentanecarboxamide
CID 120883420
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)cyclobutanecarboxamide;hydrochloride
CID 120883833
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)thiolane-2-carboxamide;hydrochloride
CID 120881587
(4R)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-oxo-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 120882971
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-4-phenylcyclohexane-1-carboxamide
CID 120883246
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)oxane-2-carboxamide
CID 120882416
2-(2-chlorophenyl)-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)cyclopropane-1-carboxamide;hydrochloride
CID 120882141
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
CID 120883934
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-methylpiperidine-4-carboxamide
CID 120882858
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide;hydrochloride
CID 120883933
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-6-oxopiperidine-3-carboxamide
CID 120883928
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-methylcyclopentane-1-carboxamide
CID 120881270

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3,4-dihydro-2H-thiochromene-4-carboxamide?
The IUPAC name of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3,4-dihydro-2H-thiochromene-4-carboxamide (CID 120882268) is N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3,4-dihydro-2H-thiochromene-4-carboxamide.
What is the SMILES notation for N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3,4-dihydro-2H-thiochromene-4-carboxamide?
The canonical SMILES for N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3,4-dihydro-2H-thiochromene-4-carboxamide is O=C(Nc1ccc2c(c1F)CCNC2)C1CCSc2ccccc21.
What is the InChIKey of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3,4-dihydro-2H-thiochromene-4-carboxamide?
The InChIKey is HQHAGXMNSHVWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2OS/c20-18-13-7-9-21-11-12(13)5-6-16(18)22-19(23)15-8-10-24-17-4-2-1-3-14(15)17/h1-6,15,21H,7-11H2,(H,22,23).
What are the key properties of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3,4-dihydro-2H-thiochromene-4-carboxamide?
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3,4-dihydro-2H-thiochromene-4-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 3.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-3,4-dihydro-2H-thiochromene-4-carboxamide is sourced from PubChem (CID 120882268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).