4-(8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)-1,3-thiazole

C16H15N3O2S — CID 50901954

IUPAC4-(8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)-1,3-thiazole
SMILESCOc1cc2c(cc1OC)-c1c(-c3cscn3)ncn1CC2
InChIInChI=1S/C16H15N3O2S/c1-20-13-5-10-3-4-19-8-17-15(12-7-22-9-18-12)16(19)11(10)6-14(13)21-2/h5-9H,3-4H2,1-2H3
InChIKeyNYMJDCPWMKHMJB-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.25
Rot. Bonds3

About 4-(8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)-1,3-thiazole

4-(8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)-1,3-thiazole (PubChem CID 50901954) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is 4-(8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)-1,3-thiazole
PubChem CID50901954
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC Name4-(8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)-1,3-thiazole
SMILESCOc1cc2c(cc1OC)-c1c(-c3cscn3)ncn1CC2
InChIInChI=1S/C16H15N3O2S/c1-20-13-5-10-3-4-19-8-17-15(12-7-22-9-18-12)16(19)11(10)6-14(13)21-2/h5-9H,3-4H2,1-2H3
InChIKeyNYMJDCPWMKHMJB-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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Related Compounds

8,9-Dimethoxy-1-(1,3-Thiazol-5-Yl)-5,6-Dihydroimidazo[5,1-A]isoquinoline
CID 50903255
6-(1,3-Benzodioxol-5-yl)imidazo[2,1-b][1,3]thiazole
CID 3244537
2-[(E)-[6-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine
CID 11485823
4-[5-(8,9-Dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)-1,3-thiazol-2-yl]morpholine
CID 49843464
5-(8,9-Dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)-2-methyl-1,3-thiazole
CID 50901948
1-Cyclohexyl-8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinoline
CID 50902028
8,9-Dimethoxy-1-phenyl-5,6-dihydroimidazo[5,1-a]isoquinoline
CID 50902029
8,9-Dimethoxy-1-pyridin-3-yl-5,6-dihydroimidazo[5,1-a]isoquinoline
CID 50902030
8,9-Dimethoxy-1-pyridin-4-yl-5,6-dihydroimidazo[5,1-a]isoquinoline
CID 50902031
8,9-Dimethoxy-1-(3-methoxyphenyl)-5,6-dihydroimidazo[5,1-a]isoquinoline
CID 50902114
8,9-Dimethoxy-1-(4-methoxyphenyl)-5,6-dihydroimidazo[5,1-a]isoquinoline
CID 50902116
5-(8,9-Dimethoxy-3-methyl-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)-1,3-thiazole
CID 50902289

Frequently Asked Questions

What is the IUPAC name of 4-(8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)-1,3-thiazole?
The IUPAC name of 4-(8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)-1,3-thiazole (CID 50901954) is 4-(8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)-1,3-thiazole.
What is the SMILES notation for 4-(8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)-1,3-thiazole?
The canonical SMILES for 4-(8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)-1,3-thiazole is COc1cc2c(cc1OC)-c1c(-c3cscn3)ncn1CC2.
What is the InChIKey of 4-(8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)-1,3-thiazole?
The InChIKey is NYMJDCPWMKHMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c1-20-13-5-10-3-4-19-8-17-15(12-7-22-9-18-12)16(19)11(10)6-14(13)21-2/h5-9H,3-4H2,1-2H3.
What are the key properties of 4-(8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)-1,3-thiazole?
4-(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 4-(8,9-dimethoxy-5,6-dihydroimidazo[5,1-a]isoquinolin-1-yl)-1,3-thiazole is sourced from PubChem (CID 50901954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).