N-[(4-chlorothiophen-2-yl)methyl]isoquinolin-5-amine

C14H11ClN2S — CID 79419365

IUPACN-[(4-chlorothiophen-2-yl)methyl]isoquinolin-5-amine
SMILESClc1csc(CNc2cccc3cnccc23)c1
InChIInChI=1S/C14H11ClN2S/c15-11-6-12(18-9-11)8-17-14-3-1-2-10-7-16-5-4-13(10)14/h1-7,9,17H,8H2
InChIKeyPSAUFBSYOVBLTB-UHFFFAOYSA-N
MW274.78 g/mol
LogP4.56
Rot. Bonds3

About N-[(4-chlorothiophen-2-yl)methyl]isoquinolin-5-amine

N-[(4-chlorothiophen-2-yl)methyl]isoquinolin-5-amine (PubChem CID 79419365) has the molecular formula C14H11ClN2S and a molecular weight of 274.78 g/mol. Its IUPAC name is N-[(4-chlorothiophen-2-yl)methyl]isoquinolin-5-amine.

Molecular Properties

Compound NameN-[(4-chlorothiophen-2-yl)methyl]isoquinolin-5-amine
PubChem CID79419365
Molecular FormulaC14H11ClN2S
Molecular Weight274.78 g/mol
Exact Mass274.03
IUPAC NameN-[(4-chlorothiophen-2-yl)methyl]isoquinolin-5-amine
SMILESClc1csc(CNc2cccc3cnccc23)c1
InChIInChI=1S/C14H11ClN2S/c15-11-6-12(18-9-11)8-17-14-3-1-2-10-7-16-5-4-13(10)14/h1-7,9,17H,8H2
InChIKeyPSAUFBSYOVBLTB-UHFFFAOYSA-N
XLogP4.56
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.78
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methyl-1,3-thiazol-5-yl)methyl]isoquinolin-5-amine
CID 54868726
N-[(4-bromo-5-methylthiophen-2-yl)methyl]isoquinolin-5-amine
CID 102832061
N-(thiophen-3-ylmethyl)isoquinolin-5-amine
CID 43681310
N-(pyridin-3-ylmethyl)isoquinolin-5-amine
CID 43681304
N-[(3-aminothiophen-2-yl)methyl]isoquinolin-5-amine
CID 66386138
N-[(4-chlorothiophen-2-yl)methyl]-2-methylaniline
CID 79420207
N-[(4-propan-2-ylphenyl)methyl]isoquinolin-5-amine
CID 43229360
N-[(5-bromo-2-fluorophenyl)methyl]isoquinolin-5-amine
CID 43681278
N-[(2-bromophenyl)methyl]isoquinolin-5-amine
CID 43229357
N-[(2-chloro-6-methoxyphenyl)methyl]isoquinolin-5-amine
CID 115742878
4-chloro-N-(isoquinolin-5-ylmethyl)-2-methylaniline
CID 62823888
3-chloro-N-[(4-chlorothiophen-2-yl)methyl]-2-(1,2,4-triazol-1-yl)aniline
CID 79419981

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorothiophen-2-yl)methyl]isoquinolin-5-amine?
The IUPAC name of N-[(4-chlorothiophen-2-yl)methyl]isoquinolin-5-amine (CID 79419365) is N-[(4-chlorothiophen-2-yl)methyl]isoquinolin-5-amine.
What is the SMILES notation for N-[(4-chlorothiophen-2-yl)methyl]isoquinolin-5-amine?
The canonical SMILES for N-[(4-chlorothiophen-2-yl)methyl]isoquinolin-5-amine is Clc1csc(CNc2cccc3cnccc23)c1.
What is the InChIKey of N-[(4-chlorothiophen-2-yl)methyl]isoquinolin-5-amine?
The InChIKey is PSAUFBSYOVBLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2S/c15-11-6-12(18-9-11)8-17-14-3-1-2-10-7-16-5-4-13(10)14/h1-7,9,17H,8H2.
What are the key properties of N-[(4-chlorothiophen-2-yl)methyl]isoquinolin-5-amine?
N-[(4-chlorothiophen-2-yl)methyl]isoquinolin-5-amine has a molecular weight of 274.78 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorothiophen-2-yl)methyl]isoquinolin-5-amine is sourced from PubChem (CID 79419365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).