N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)thiolane-2-carboxamide;hydrochloride

C14H18ClFN2OS — CID 120881587

IUPACN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)thiolane-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc2c(c1F)CCNC2)C1CCCS1
InChIInChI=1S/C14H17FN2OS.ClH/c15-13-10-5-6-16-8-9(10)3-4-11(13)17-14(18)12-2-1-7-19-12;/h3-4,12,16H,1-2,5-8H2,(H,17,18);1H
InChIKeyXVEXHUIVTSMHNZ-UHFFFAOYSA-N
MW316.83 g/mol
LogP2.73
Rot. Bonds2

About N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)thiolane-2-carboxamide;hydrochloride

N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)thiolane-2-carboxamide;hydrochloride (PubChem CID 120881587) has the molecular formula C14H18ClFN2OS and a molecular weight of 316.83 g/mol. Its IUPAC name is N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)thiolane-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)thiolane-2-carboxamide;hydrochloride
PubChem CID120881587
Molecular FormulaC14H18ClFN2OS
Molecular Weight316.83 g/mol
Exact Mass316.08
IUPAC NameN-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)thiolane-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc2c(c1F)CCNC2)C1CCCS1
InChIInChI=1S/C14H17FN2OS.ClH/c15-13-10-5-6-16-8-9(10)3-4-11(13)17-14(18)12-2-1-7-19-12;/h3-4,12,16H,1-2,5-8H2,(H,17,18);1H
InChIKeyXVEXHUIVTSMHNZ-UHFFFAOYSA-N
XLogP2.73
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)cyclobutanecarboxamide;hydrochloride
CID 120883833
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)cyclopentanecarboxamide
CID 120883420
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-methylpiperidine-4-carboxamide
CID 120882858
(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)-3,4-dihydro-2H-thiochromene-4-carboxamide
CID 120882268
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)oxane-2-carboxamide
CID 120882416
N-(2,3,4-trifluorophenyl)thiolane-2-carboxamide
CID 110865134
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 120881024
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)adamantane-1-carboxamide;hydrochloride
CID 120883197
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-6-oxopiperidine-3-carboxamide
CID 120883928
N-[2-[(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)amino]-2-oxoethyl]cyclohexanecarboxamide;hydrochloride
CID 120883993
1-N-cyclopentyl-3-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)piperidine-1,3-dicarboxamide;hydrochloride
CID 120880947

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)thiolane-2-carboxamide;hydrochloride?
The IUPAC name of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)thiolane-2-carboxamide;hydrochloride (CID 120881587) is N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)thiolane-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)thiolane-2-carboxamide;hydrochloride?
The canonical SMILES for N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)thiolane-2-carboxamide;hydrochloride is Cl.O=C(Nc1ccc2c(c1F)CCNC2)C1CCCS1.
What is the InChIKey of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)thiolane-2-carboxamide;hydrochloride?
The InChIKey is XVEXHUIVTSMHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2OS.ClH/c15-13-10-5-6-16-8-9(10)3-4-11(13)17-14(18)12-2-1-7-19-12;/h3-4,12,16H,1-2,5-8H2,(H,17,18);1H.
What are the key properties of N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)thiolane-2-carboxamide;hydrochloride?
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)thiolane-2-carboxamide;hydrochloride has a molecular weight of 316.83 g/mol, XLogP of 2.73, 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)thiolane-2-carboxamide;hydrochloride is sourced from PubChem (CID 120881587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).