5-(8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)-1,3-thiazole

C16H15N3O2S — CID 50903255

IUPAC5-(8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)-1,3-thiazole
SMILESCOc1cc2c(cc1OC)-c1c(-c3cncs3)ncn1CC2
InChIInChI=1S/C16H15N3O2S/c1-20-12-5-10-3-4-19-8-18-15(14-7-17-9-22-14)16(19)11(10)6-13(12)21-2/h5-9H,3-4H2,1-2H3
InChIKeyGFIAXSKRRKHJBD-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.25
Rot. Bonds3

About 5-(8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)-1,3-thiazole

5-(8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)-1,3-thiazole (PubChem CID 50903255) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is 5-(8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name5-(8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)-1,3-thiazole
PubChem CID50903255
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Name5-(8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)-1,3-thiazole
SMILESCOc1cc2c(cc1OC)-c1c(-c3cncs3)ncn1CC2
InChIInChI=1S/C16H15N3O2S/c1-20-12-5-10-3-4-19-8-18-15(14-7-17-9-22-14)16(19)11(10)6-13(12)21-2/h5-9H,3-4H2,1-2H3
InChIKeyGFIAXSKRRKHJBD-UHFFFAOYSA-N
XLogP3.25
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)-1,3-thiazole?
The IUPAC name of 5-(8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)-1,3-thiazole (CID 50903255) is 5-(8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)-1,3-thiazole.
What is the SMILES notation for 5-(8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)-1,3-thiazole?
The canonical SMILES for 5-(8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)-1,3-thiazole is COc1cc2c(cc1OC)-c1c(-c3cncs3)ncn1CC2.
What is the InChIKey of 5-(8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)-1,3-thiazole?
The InChIKey is GFIAXSKRRKHJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-20-12-5-10-3-4-19-8-18-15(14-7-17-9-22-14)16(19)11(10)6-13(12)21-2/h5-9H,3-4H2,1-2H3.
What are the key properties of 5-(8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)-1,3-thiazole?
5-(8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)-1,3-thiazole has a molecular weight of 313.38 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)-1,3-thiazole is sourced from PubChem (CID 50903255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).