N-(thiophen-2-ylmethyl)isoquinolin-1-amine

C14H12N2S — CID 19771015

IUPACN-(thiophen-2-ylmethyl)isoquinolin-1-amine
SMILESc1csc(CNc2nccc3ccccc23)c1
InChIInChI=1S/C14H12N2S/c1-2-6-13-11(4-1)7-8-15-14(13)16-10-12-5-3-9-17-12/h1-9H,10H2,(H,15,16)
InChIKeyJAXDURNITHTPTA-UHFFFAOYSA-N
MW240.33 g/mol
LogP3.91
Rot. Bonds3

About N-(thiophen-2-ylmethyl)isoquinolin-1-amine

N-(thiophen-2-ylmethyl)isoquinolin-1-amine (PubChem CID 19771015) has the molecular formula C14H12N2S and a molecular weight of 240.33 g/mol. Its IUPAC name is N-(thiophen-2-ylmethyl)isoquinolin-1-amine.

Molecular Properties

Compound NameN-(thiophen-2-ylmethyl)isoquinolin-1-amine
PubChem CID19771015
Molecular FormulaC14H12N2S
Molecular Weight240.33 g/mol
Exact Mass240.07
IUPAC NameN-(thiophen-2-ylmethyl)isoquinolin-1-amine
SMILESc1csc(CNc2nccc3ccccc23)c1
InChIInChI=1S/C14H12N2S/c1-2-6-13-11(4-1)7-8-15-14(13)16-10-12-5-3-9-17-12/h1-9H,10H2,(H,15,16)
InChIKeyJAXDURNITHTPTA-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

4-(Piperazin-1-yl)thieno[3,2-c]pyridine
CID 10966027
N-(1,3-Thiazol-2-yl)pyridin-2-amine 1
CID 5329323
N-(3-methylpyridin-2-yl)-5-phenyl-1,3-thiazol-2-amine
CID 5329391
Gsk5750
CID 86577391
N-methyl-3,5-di(thiophen-2-yl)-3H-pyrido[2,3-e][1,4]diazepin-2-amine
CID 135425186
Thieno[2,3-c][1,8]naphthyridine
CID 1211811
Dimethyl-[2-[pyridin-2-yl(thiophen-3-ylmethyl)amino]ethyl]azanium;chloride
CID 13734
2-(2-Thenylamino)pyridine
CID 67323
3-(4-Aminophenyl)thieno(3,2-c)pyridin-4-amine
CID 18450753
2-(Pyridin-3-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 2474854
N1-(7-(thiophen-2-yl)-1,6-naphthyridin-5-yl)propane-1,3-diamine
CID 10286183
4-Piperazine-1-yl-thieno[2,3-c]pyridine hydrochloride
CID 45259316

Frequently Asked Questions

What is the IUPAC name of N-(thiophen-2-ylmethyl)isoquinolin-1-amine?
The IUPAC name of N-(thiophen-2-ylmethyl)isoquinolin-1-amine (CID 19771015) is N-(thiophen-2-ylmethyl)isoquinolin-1-amine.
What is the SMILES notation for N-(thiophen-2-ylmethyl)isoquinolin-1-amine?
The canonical SMILES for N-(thiophen-2-ylmethyl)isoquinolin-1-amine is c1csc(CNc2nccc3ccccc23)c1.
What is the InChIKey of N-(thiophen-2-ylmethyl)isoquinolin-1-amine?
The InChIKey is JAXDURNITHTPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2S/c1-2-6-13-11(4-1)7-8-15-14(13)16-10-12-5-3-9-17-12/h1-9H,10H2,(H,15,16).
What are the key properties of N-(thiophen-2-ylmethyl)isoquinolin-1-amine?
N-(thiophen-2-ylmethyl)isoquinolin-1-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-2-ylmethyl)isoquinolin-1-amine is sourced from PubChem (CID 19771015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).