N-(thiophen-3-ylmethyl)isoquinolin-5-amine

C14H12N2S — CID 43681310

IUPACN-(thiophen-3-ylmethyl)isoquinolin-5-amine
SMILESc1cc(NCc2ccsc2)c2ccncc2c1
InChIInChI=1S/C14H12N2S/c1-2-12-9-15-6-4-13(12)14(3-1)16-8-11-5-7-17-10-11/h1-7,9-10,16H,8H2
InChIKeyJPQYAYGPGLDFOP-UHFFFAOYSA-N
MW240.33 g/mol
LogP3.91
Rot. Bonds3

About N-(thiophen-3-ylmethyl)isoquinolin-5-amine

N-(thiophen-3-ylmethyl)isoquinolin-5-amine (PubChem CID 43681310) has the molecular formula C14H12N2S and a molecular weight of 240.33 g/mol. Its IUPAC name is N-(thiophen-3-ylmethyl)isoquinolin-5-amine.

Molecular Properties

Compound NameN-(thiophen-3-ylmethyl)isoquinolin-5-amine
PubChem CID43681310
Molecular FormulaC14H12N2S
Molecular Weight240.33 g/mol
Exact Mass240.07
IUPAC NameN-(thiophen-3-ylmethyl)isoquinolin-5-amine
SMILESc1cc(NCc2ccsc2)c2ccncc2c1
InChIInChI=1S/C14H12N2S/c1-2-12-9-15-6-4-13(12)14(3-1)16-8-11-5-7-17-10-11/h1-7,9-10,16H,8H2
InChIKeyJPQYAYGPGLDFOP-UHFFFAOYSA-N
XLogP3.91
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(pyridin-3-ylmethyl)isoquinolin-5-amine
CID 43681304
N-[(4-propan-2-ylphenyl)methyl]isoquinolin-5-amine
CID 43229360
N-[(3-aminothiophen-2-yl)methyl]isoquinolin-5-amine
CID 66386138
N-[(4-chlorothiophen-2-yl)methyl]isoquinolin-5-amine
CID 79419365
N-[(2-bromophenyl)methyl]isoquinolin-5-amine
CID 43229357
N-[(2-methyl-1,3-thiazol-5-yl)methyl]isoquinolin-5-amine
CID 54868726
N-[(1-propylpyrrol-3-yl)methyl]isoquinolin-5-amine
CID 66397773
2,3-difluoro-N-(thiophen-3-ylmethyl)aniline
CID 61074644
N-[(4-bromo-5-methylthiophen-2-yl)methyl]isoquinolin-5-amine
CID 102832061
N-[[4-(4-methoxy-3-methylphenyl)phenyl]methyl]isoquinolin-5-amine
CID 142430528
N-(imidazo[1,2-a]pyridin-2-ylmethyl)isoquinolin-5-amine
CID 60683568
N-[(5-bromo-2-fluorophenyl)methyl]isoquinolin-5-amine
CID 43681278

Frequently Asked Questions

What is the IUPAC name of N-(thiophen-3-ylmethyl)isoquinolin-5-amine?
The IUPAC name of N-(thiophen-3-ylmethyl)isoquinolin-5-amine (CID 43681310) is N-(thiophen-3-ylmethyl)isoquinolin-5-amine.
What is the SMILES notation for N-(thiophen-3-ylmethyl)isoquinolin-5-amine?
The canonical SMILES for N-(thiophen-3-ylmethyl)isoquinolin-5-amine is c1cc(NCc2ccsc2)c2ccncc2c1.
What is the InChIKey of N-(thiophen-3-ylmethyl)isoquinolin-5-amine?
The InChIKey is JPQYAYGPGLDFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2S/c1-2-12-9-15-6-4-13(12)14(3-1)16-8-11-5-7-17-10-11/h1-7,9-10,16H,8H2.
What are the key properties of N-(thiophen-3-ylmethyl)isoquinolin-5-amine?
N-(thiophen-3-ylmethyl)isoquinolin-5-amine has a molecular weight of 240.33 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-3-ylmethyl)isoquinolin-5-amine is sourced from PubChem (CID 43681310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).