[1-(2-methoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(1,3-thiazolidin-4-yl)methanone

C20H22N2O2S — CID 110661461

IUPAC[1-(2-methoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(1,3-thiazolidin-4-yl)methanone
SMILESCOc1ccccc1C1c2ccccc2CCN1C(=O)C1CSCN1
InChIInChI=1S/C20H22N2O2S/c1-24-18-9-5-4-8-16(18)19-15-7-3-2-6-14(15)10-11-22(19)20(23)17-12-25-13-21-17/h2-9,17,19,21H,10-13H2,1H3
InChIKeyXAESOZXSGSZSGE-UHFFFAOYSA-N
MW354.48 g/mol
LogP2.83
Rot. Bonds3

About [1-(2-methoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(1,3-thiazolidin-4-yl)methanone

[1-(2-methoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(1,3-thiazolidin-4-yl)methanone (PubChem CID 110661461) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is [1-(2-methoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(1,3-thiazolidin-4-yl)methanone.

Molecular Properties

Compound Name[1-(2-methoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(1,3-thiazolidin-4-yl)methanone
PubChem CID110661461
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC Name[1-(2-methoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(1,3-thiazolidin-4-yl)methanone
SMILESCOc1ccccc1C1c2ccccc2CCN1C(=O)C1CSCN1
InChIInChI=1S/C20H22N2O2S/c1-24-18-9-5-4-8-16(18)19-15-7-3-2-6-14(15)10-11-22(19)20(23)17-12-25-13-21-17/h2-9,17,19,21H,10-13H2,1H3
InChIKeyXAESOZXSGSZSGE-UHFFFAOYSA-N
XLogP2.83
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-(2-methoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(1,3-thiazolidin-4-yl)methanone with MolForge

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

Launch Full Analysis

Related Compounds

(2-methoxyphenyl)-(1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110400522
(3R)-2-(1,3-thiazolidine-4-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 61158769
[(1R)-1-(2-chlorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 92772095
[(1S)-1-(2-chlorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 92772096
N-[(2-methoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 24698551
methyl 3-[(1S)-1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-3-oxopropanoate
CID 155390511
methyl (1S)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 67079072
(1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-(1,3-thiazolidin-4-yl)methanone;dihydrochloride
CID 119876978
N-[(2-methoxyphenyl)methyl]-N-methyl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119266862
(1R)-1-(2-chlorophenyl)-N-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 92768727
2-[2-(2-methoxyphenoxy)acetyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
CID 119212714
(1R)-N-(2,5-dimethoxyphenyl)-1-(4-fluorophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 92769413

Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(1,3-thiazolidin-4-yl)methanone?
The IUPAC name of [1-(2-methoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(1,3-thiazolidin-4-yl)methanone (CID 110661461) is [1-(2-methoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(1,3-thiazolidin-4-yl)methanone.
What is the SMILES notation for [1-(2-methoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(1,3-thiazolidin-4-yl)methanone?
The canonical SMILES for [1-(2-methoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(1,3-thiazolidin-4-yl)methanone is COc1ccccc1C1c2ccccc2CCN1C(=O)C1CSCN1.
What is the InChIKey of [1-(2-methoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(1,3-thiazolidin-4-yl)methanone?
The InChIKey is XAESOZXSGSZSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-24-18-9-5-4-8-16(18)19-15-7-3-2-6-14(15)10-11-22(19)20(23)17-12-25-13-21-17/h2-9,17,19,21H,10-13H2,1H3.
What are the key properties of [1-(2-methoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(1,3-thiazolidin-4-yl)methanone?
[1-(2-methoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(1,3-thiazolidin-4-yl)methanone has a molecular weight of 354.48 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-(1,3-thiazolidin-4-yl)methanone is sourced from PubChem (CID 110661461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).