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

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Related Compounds

1-(2-chlorophenyl)-6-methoxy-2-phenyl-3,4-dihydro-1H-isoquinoline
CID 3024613
6-methoxy-2-phenyl-1-(3,4,5-trifluorophenyl)-3,4-dihydro-1H-isoquinoline
CID 18172420
1-(3-fluorophenyl)-6-methoxy-2-phenyl-3,4-dihydro-1H-isoquinoline
CID 13467513
6,7-dimethoxy-1,2-diphenyl-3,4-dihydro-1H-isoquinoline
CID 122227728
7-methoxy-3-phenyl-1,2,4,5-tetrahydro-3-benzazepine
CID 57042717
1-(4-tert-butylphenyl)-2-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline
CID 102390709
2,2,2-trifluoro-1-(6-methoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 18172472
2-(3-methoxyphenyl)-1-[2-(4-methoxyphenyl)ethynyl]-3,4-dihydro-1H-isoquinoline
CID 175531941
(1S,2R)-1-benzyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10611903
(6-methoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-morpholin-4-ylmethanone
CID 110289173
(6-methoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-thiophen-2-ylmethanone
CID 110314226
6-methoxy-2-phenyl-3,4-dihydroisoquinolin-1-one
CID 11043266

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).