N-(furan-2-ylmethyl)-N-(isoquinolin-5-ylmethyl)-1-thiophen-3-ylmethanamine

C20H18N2OS — CID 46983737

IUPACN-(furan-2-ylmethyl)-N-(isoquinolin-5-ylmethyl)-1-thiophen-3-ylmethanamine
SMILESc1coc(CN(Cc2ccsc2)Cc2cccc3cnccc23)c1
InChIInChI=1S/C20H18N2OS/c1-3-17-11-21-8-6-20(17)18(4-1)13-22(12-16-7-10-24-15-16)14-19-5-2-9-23-19/h1-11,15H,12-14H2
InChIKeyOAEFIUHEWYSVAI-UHFFFAOYSA-N
MW334.44 g/mol
LogP5.09
Rot. Bonds6

About N-(furan-2-ylmethyl)-N-(isoquinolin-5-ylmethyl)-1-thiophen-3-ylmethanamine

N-(furan-2-ylmethyl)-N-(isoquinolin-5-ylmethyl)-1-thiophen-3-ylmethanamine (PubChem CID 46983737) has the molecular formula C20H18N2OS and a molecular weight of 334.44 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-(isoquinolin-5-ylmethyl)-1-thiophen-3-ylmethanamine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-(isoquinolin-5-ylmethyl)-1-thiophen-3-ylmethanamine
PubChem CID46983737
Molecular FormulaC20H18N2OS
Molecular Weight334.44 g/mol
Exact Mass334.11
IUPAC NameN-(furan-2-ylmethyl)-N-(isoquinolin-5-ylmethyl)-1-thiophen-3-ylmethanamine
SMILESc1coc(CN(Cc2ccsc2)Cc2cccc3cnccc23)c1
InChIInChI=1S/C20H18N2OS/c1-3-17-11-21-8-6-20(17)18(4-1)13-22(12-16-7-10-24-15-16)14-19-5-2-9-23-19/h1-11,15H,12-14H2
InChIKeyOAEFIUHEWYSVAI-UHFFFAOYSA-N
XLogP5.09
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.44
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-2-phenyl-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 3216731
(Isoquinolin-5-ylmethyl)methyl{[5-methyl-2-(5-methyl-2-thienyl)-1,3-oxazol-4-yl]methyl}amine
CID 16191249
N-(furan-2-ylmethyl)-2-(3-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide
CID 3216724
N-(furan-2-ylmethyl)-2-(4-methylphenyl)-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 3216729
N-(furan-2-ylmethyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 898094
Thiophene-2-carboxylic acid {[(cyclohexylcarbamoyl-pyridin-3-yl-methyl)-furan-2-ylmethyl-carbamoyl]-methyl}-amide
CID 3211279
2-(Furan-2-yl)-6-pyridin-4-yl-4-thiophen-2-ylpyridine
CID 44423803
2-(Furan-2-yl)-6-pyridin-4-yl-4-thiophen-3-ylpyridine
CID 44423806
4-(Furan-3-yl)-2-pyridin-4-yl-6-thiophen-2-ylpyridine
CID 44423810
4-(Furan-3-yl)-2-pyridin-4-yl-6-thiophen-3-ylpyridine
CID 44423829
4-[2-(4-Fluorophenyl)-5-(furan-2-yl)thiophen-3-yl]pyridine
CID 118903766
Thiophene-2-carboxylic acid {[(cyclohexylcarbamoyl-pyridin-4-yl-methyl)-furan-2-ylmethyl-carbamoyl]-methyl}-amide
CID 3211264

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-(isoquinolin-5-ylmethyl)-1-thiophen-3-ylmethanamine?
The IUPAC name of N-(furan-2-ylmethyl)-N-(isoquinolin-5-ylmethyl)-1-thiophen-3-ylmethanamine (CID 46983737) is N-(furan-2-ylmethyl)-N-(isoquinolin-5-ylmethyl)-1-thiophen-3-ylmethanamine.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-(isoquinolin-5-ylmethyl)-1-thiophen-3-ylmethanamine?
The canonical SMILES for N-(furan-2-ylmethyl)-N-(isoquinolin-5-ylmethyl)-1-thiophen-3-ylmethanamine is c1coc(CN(Cc2ccsc2)Cc2cccc3cnccc23)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-(isoquinolin-5-ylmethyl)-1-thiophen-3-ylmethanamine?
The InChIKey is OAEFIUHEWYSVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2OS/c1-3-17-11-21-8-6-20(17)18(4-1)13-22(12-16-7-10-24-15-16)14-19-5-2-9-23-19/h1-11,15H,12-14H2.
What are the key properties of N-(furan-2-ylmethyl)-N-(isoquinolin-5-ylmethyl)-1-thiophen-3-ylmethanamine?
N-(furan-2-ylmethyl)-N-(isoquinolin-5-ylmethyl)-1-thiophen-3-ylmethanamine has a molecular weight of 334.44 g/mol, XLogP of 5.09, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-(isoquinolin-5-ylmethyl)-1-thiophen-3-ylmethanamine is sourced from PubChem (CID 46983737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).