5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-ethyl-1,2,4-thiadiazole

C15H19N3O2S — CID 71866348

IUPAC5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-ethyl-1,2,4-thiadiazole
SMILESCCc1nsc(N2CCc3cc(OC)c(OC)cc3C2)n1
InChIInChI=1S/C15H19N3O2S/c1-4-14-16-15(21-17-14)18-6-5-10-7-12(19-2)13(20-3)8-11(10)9-18/h7-8H,4-6,9H2,1-3H3
InChIKeyUBJLUOVYJNOJPU-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.68
Rot. Bonds4

About 5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-ethyl-1,2,4-thiadiazole

5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-ethyl-1,2,4-thiadiazole (PubChem CID 71866348) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-ethyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-ethyl-1,2,4-thiadiazole
PubChem CID71866348
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-ethyl-1,2,4-thiadiazole
SMILESCCc1nsc(N2CCc3cc(OC)c(OC)cc3C2)n1
InChIInChI=1S/C15H19N3O2S/c1-4-14-16-15(21-17-14)18-6-5-10-7-12(19-2)13(20-3)8-11(10)9-18/h7-8H,4-6,9H2,1-3H3
InChIKeyUBJLUOVYJNOJPU-UHFFFAOYSA-N
XLogP2.68
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-ethyl-1,2,4-thiadiazole?
The IUPAC name of 5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-ethyl-1,2,4-thiadiazole (CID 71866348) is 5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-ethyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-ethyl-1,2,4-thiadiazole?
The canonical SMILES for 5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-ethyl-1,2,4-thiadiazole is CCc1nsc(N2CCc3cc(OC)c(OC)cc3C2)n1.
What is the InChIKey of 5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-ethyl-1,2,4-thiadiazole?
The InChIKey is UBJLUOVYJNOJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-4-14-16-15(21-17-14)18-6-5-10-7-12(19-2)13(20-3)8-11(10)9-18/h7-8H,4-6,9H2,1-3H3.
What are the key properties of 5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-ethyl-1,2,4-thiadiazole?
5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-ethyl-1,2,4-thiadiazole has a molecular weight of 305.40 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-ethyl-1,2,4-thiadiazole is sourced from PubChem (CID 71866348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).