2-(6-methoxy-2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)-1,3-thiazole

C19H18N2OS — CID 18172395

IUPAC2-(6-methoxy-2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)-1,3-thiazole
SMILESCOc1ccc2c(c1)CCN(c1ccccc1)C2c1nccs1
InChIInChI=1S/C19H18N2OS/c1-22-16-7-8-17-14(13-16)9-11-21(15-5-3-2-4-6-15)18(17)19-20-10-12-23-19/h2-8,10,12-13,18H,9,11H2,1H3
InChIKeyAWMGEYXLMDEOOG-UHFFFAOYSA-N
MW322.43 g/mol
LogP4.30
Rot. Bonds3

About 2-(6-methoxy-2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)-1,3-thiazole

2-(6-methoxy-2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)-1,3-thiazole (PubChem CID 18172395) has the molecular formula C19H18N2OS and a molecular weight of 322.43 g/mol. Its IUPAC name is 2-(6-methoxy-2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(6-methoxy-2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)-1,3-thiazole
PubChem CID18172395
Molecular FormulaC19H18N2OS
Molecular Weight322.43 g/mol
Exact Mass322.11
IUPAC Name2-(6-methoxy-2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)-1,3-thiazole
SMILESCOc1ccc2c(c1)CCN(c1ccccc1)C2c1nccs1
InChIInChI=1S/C19H18N2OS/c1-22-16-7-8-17-14(13-16)9-11-21(15-5-3-2-4-6-15)18(17)19-20-10-12-23-19/h2-8,10,12-13,18H,9,11H2,1H3
InChIKeyAWMGEYXLMDEOOG-UHFFFAOYSA-N
XLogP4.30
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(6-methoxy-2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)-1,3-thiazole?
The IUPAC name of 2-(6-methoxy-2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)-1,3-thiazole (CID 18172395) is 2-(6-methoxy-2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)-1,3-thiazole.
What is the SMILES notation for 2-(6-methoxy-2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)-1,3-thiazole?
The canonical SMILES for 2-(6-methoxy-2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)-1,3-thiazole is COc1ccc2c(c1)CCN(c1ccccc1)C2c1nccs1.
What is the InChIKey of 2-(6-methoxy-2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)-1,3-thiazole?
The InChIKey is AWMGEYXLMDEOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2OS/c1-22-16-7-8-17-14(13-16)9-11-21(15-5-3-2-4-6-15)18(17)19-20-10-12-23-19/h2-8,10,12-13,18H,9,11H2,1H3.
What are the key properties of 2-(6-methoxy-2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)-1,3-thiazole?
2-(6-methoxy-2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)-1,3-thiazole has a molecular weight of 322.43 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)-1,3-thiazole is sourced from PubChem (CID 18172395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).