4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-naphthalen-2-yl-1,3-thiazole

C25H24N2O2S — CID 71524590

IUPAC4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-naphthalen-2-yl-1,3-thiazole
SMILESCOc1cc2c(cc1OC)CN(Cc1csc(-c3ccc4ccccc4c3)n1)CC2
InChIInChI=1S/C25H24N2O2S/c1-28-23-12-19-9-10-27(14-21(19)13-24(23)29-2)15-22-16-30-25(26-22)20-8-7-17-5-3-4-6-18(17)11-20/h3-8,11-13,16H,9-10,14-15H2,1-2H3
InChIKeyHSNKXGIDZSLNMR-UHFFFAOYSA-N
MW416.55 g/mol
LogP5.54
Rot. Bonds5

About 4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-naphthalen-2-yl-1,3-thiazole

4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-naphthalen-2-yl-1,3-thiazole (PubChem CID 71524590) has the molecular formula C25H24N2O2S and a molecular weight of 416.55 g/mol. Its IUPAC name is 4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-naphthalen-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-naphthalen-2-yl-1,3-thiazole
PubChem CID71524590
Molecular FormulaC25H24N2O2S
Molecular Weight416.55 g/mol
Exact Mass416.16
IUPAC Name4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-naphthalen-2-yl-1,3-thiazole
SMILESCOc1cc2c(cc1OC)CN(Cc1csc(-c3ccc4ccccc4c3)n1)CC2
InChIInChI=1S/C25H24N2O2S/c1-28-23-12-19-9-10-27(14-21(19)13-24(23)29-2)15-22-16-30-25(26-22)20-8-7-17-5-3-4-6-18(17)11-20/h3-8,11-13,16H,9-10,14-15H2,1-2H3
InChIKeyHSNKXGIDZSLNMR-UHFFFAOYSA-N
XLogP5.54
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.55
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-naphthalen-2-yl-1,3-thiazole?
The IUPAC name of 4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-naphthalen-2-yl-1,3-thiazole (CID 71524590) is 4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-naphthalen-2-yl-1,3-thiazole.
What is the SMILES notation for 4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-naphthalen-2-yl-1,3-thiazole?
The canonical SMILES for 4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-naphthalen-2-yl-1,3-thiazole is COc1cc2c(cc1OC)CN(Cc1csc(-c3ccc4ccccc4c3)n1)CC2.
What is the InChIKey of 4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-naphthalen-2-yl-1,3-thiazole?
The InChIKey is HSNKXGIDZSLNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O2S/c1-28-23-12-19-9-10-27(14-21(19)13-24(23)29-2)15-22-16-30-25(26-22)20-8-7-17-5-3-4-6-18(17)11-20/h3-8,11-13,16H,9-10,14-15H2,1-2H3.
What are the key properties of 4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-naphthalen-2-yl-1,3-thiazole?
4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-naphthalen-2-yl-1,3-thiazole has a molecular weight of 416.55 g/mol, XLogP of 5.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2-naphthalen-2-yl-1,3-thiazole is sourced from PubChem (CID 71524590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).