5-(8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)-2-methyl-1,3-thiazole

C17H17N3O2S — CID 50901948

IUPAC5-(8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)-2-methyl-1,3-thiazole
SMILESCOc1cc2c(cc1OC)-c1c(-c3cnc(C)s3)ncn1CC2
InChIInChI=1S/C17H17N3O2S/c1-10-18-8-15(23-10)16-17-12-7-14(22-3)13(21-2)6-11(12)4-5-20(17)9-19-16/h6-9H,4-5H2,1-3H3
InChIKeyNUHMDWHGODLNKY-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.56
Rot. Bonds3

About 5-(8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)-2-methyl-1,3-thiazole

5-(8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)-2-methyl-1,3-thiazole (PubChem CID 50901948) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is 5-(8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-(8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)-2-methyl-1,3-thiazole
PubChem CID50901948
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name5-(8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)-2-methyl-1,3-thiazole
SMILESCOc1cc2c(cc1OC)-c1c(-c3cnc(C)s3)ncn1CC2
InChIInChI=1S/C17H17N3O2S/c1-10-18-8-15(23-10)16-17-12-7-14(22-3)13(21-2)6-11(12)4-5-20(17)9-19-16/h6-9H,4-5H2,1-3H3
InChIKeyNUHMDWHGODLNKY-UHFFFAOYSA-N
XLogP3.56
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.56
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)-2-methyl-1,3-thiazole?
The IUPAC name of 5-(8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)-2-methyl-1,3-thiazole (CID 50901948) is 5-(8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)-2-methyl-1,3-thiazole.
What is the SMILES notation for 5-(8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)-2-methyl-1,3-thiazole?
The canonical SMILES for 5-(8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)-2-methyl-1,3-thiazole is COc1cc2c(cc1OC)-c1c(-c3cnc(C)s3)ncn1CC2.
What is the InChIKey of 5-(8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)-2-methyl-1,3-thiazole?
The InChIKey is NUHMDWHGODLNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-10-18-8-15(23-10)16-17-12-7-14(22-3)13(21-2)6-11(12)4-5-20(17)9-19-16/h6-9H,4-5H2,1-3H3.
What are the key properties of 5-(8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)-2-methyl-1,3-thiazole?
5-(8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)-2-methyl-1,3-thiazole has a molecular weight of 327.41 g/mol, XLogP of 3.56, 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)-2-methyl-1,3-thiazole is sourced from PubChem (CID 50901948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).