[(1R)-2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanol

C21H22N2O2S — CID 96538212

IUPAC[(1R)-2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanol
SMILESCOc1ccccc1-c1nc(CN2CCc3ccccc3[C@@H]2CO)cs1
InChIInChI=1S/C21H22N2O2S/c1-25-20-9-5-4-8-18(20)21-22-16(14-26-21)12-23-11-10-15-6-2-3-7-17(15)19(23)13-24/h2-9,14,19,24H,10-13H2,1H3/t19-/m0/s1
InChIKeyGXASCMJWOIHTAQ-IBGZPJMESA-N
MW366.49 g/mol
LogP3.91
Rot. Bonds5

About [(1R)-2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanol

[(1R)-2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanol (PubChem CID 96538212) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is [(1R)-2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanol.

Molecular Properties

Compound Name[(1R)-2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanol
PubChem CID96538212
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC Name[(1R)-2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanol
SMILESCOc1ccccc1-c1nc(CN2CCc3ccccc3[C@@H]2CO)cs1
InChIInChI=1S/C21H22N2O2S/c1-25-20-9-5-4-8-18(20)21-22-16(14-26-21)12-23-11-10-15-6-2-3-7-17(15)19(23)13-24/h2-9,14,19,24H,10-13H2,1H3/t19-/m0/s1
InChIKeyGXASCMJWOIHTAQ-IBGZPJMESA-N
XLogP3.91
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(1R)-2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanol 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 [(1R)-2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanol?
The IUPAC name of [(1R)-2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanol (CID 96538212) is [(1R)-2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanol.
What is the SMILES notation for [(1R)-2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanol?
The canonical SMILES for [(1R)-2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanol is COc1ccccc1-c1nc(CN2CCc3ccccc3[C@@H]2CO)cs1.
What is the InChIKey of [(1R)-2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanol?
The InChIKey is GXASCMJWOIHTAQ-IBGZPJMESA-N. The full InChI is InChI=1S/C21H22N2O2S/c1-25-20-9-5-4-8-18(20)21-22-16(14-26-21)12-23-11-10-15-6-2-3-7-17(15)19(23)13-24/h2-9,14,19,24H,10-13H2,1H3/t19-/m0/s1.
What are the key properties of [(1R)-2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanol?
[(1R)-2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanol has a molecular weight of 366.49 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-3,4-dihydro-1H-isoquinolin-1-yl]methanol is sourced from PubChem (CID 96538212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).