4-[5-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-2-yl]morpholine

C18H23N3O2S — CID 77091734

IUPAC4-[5-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-2-yl]morpholine
SMILESCOc1ccc2c(c1)CCN(Cc1cnc(N3CCOCC3)s1)C2
InChIInChI=1S/C18H23N3O2S/c1-22-16-3-2-15-12-20(5-4-14(15)10-16)13-17-11-19-18(24-17)21-6-8-23-9-7-21/h2-3,10-11H,4-9,12-13H2,1H3
InChIKeyBGIWQTKQRVJLBQ-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.55
Rot. Bonds4

About 4-[5-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-2-yl]morpholine

4-[5-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-2-yl]morpholine (PubChem CID 77091734) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 4-[5-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-2-yl]morpholine.

Molecular Properties

Compound Name4-[5-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-2-yl]morpholine
PubChem CID77091734
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name4-[5-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-2-yl]morpholine
SMILESCOc1ccc2c(c1)CCN(Cc1cnc(N3CCOCC3)s1)C2
InChIInChI=1S/C18H23N3O2S/c1-22-16-3-2-15-12-20(5-4-14(15)10-16)13-17-11-19-18(24-17)21-6-8-23-9-7-21/h2-3,10-11H,4-9,12-13H2,1H3
InChIKeyBGIWQTKQRVJLBQ-UHFFFAOYSA-N
XLogP2.55
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[5-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-2-yl]morpholine 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

4-(4-Methoxyphenyl)-2-methyl-7-(3-(4-(thiazol-2-yl)piperazin-1-yl)propoxy)-1,2,3,4-tetrahydroisoquinoline
CID 44430379
US10336775, Example 79
CID 118911274
2-{1-(4-Ethoxybenzyl)-4-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperazin-2-yl}ethanol
CID 16189932
{4-(3-Methoxybenzyl)-1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl}methanol
CID 16191665
({1-[2-(4-Methoxyphenyl)ethyl]-4-piperidinyl}methyl)methyl{[2-(4-morpholinyl)-1,3-thiazol-5-yl]methyl}amine
CID 26393131
6-Methyl-4-[6-(2,2,2-trifluoroethoxy)-3,4-dihydroisoquinolin-2(1H)-yl]-1-{[2-(trifluoro methyl)thiazol-5-yl]methyl}-1,3,5-triazin-2(1H)-one
CID 117998847
4-[4-hydroxy-6-(2,2,2-trifluoroethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]-6-methyl-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,3,5-triazin-2-one
CID 117998875
4-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,3,5-triazin-2-one
CID 117998876
4-(4-hydroxy-6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,3,5-triazin-2-one
CID 117998885
4-(6-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,3,5-triazin-2-one
CID 122503389
4-(6-ethoxy-4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-1,3,5-triazin-2-one
CID 122503398
5-[4-[4-[(Dimethylamino)methyl]-2-fluorophenoxy]-6-(2-ethyl-6-methylmorpholin-4-yl)-1,3,5-triazin-2-yl]-1,3-thiazol-2-amine
CID 123348224

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-2-yl]morpholine?
The IUPAC name of 4-[5-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-2-yl]morpholine (CID 77091734) is 4-[5-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-2-yl]morpholine.
What is the SMILES notation for 4-[5-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-2-yl]morpholine?
The canonical SMILES for 4-[5-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-2-yl]morpholine is COc1ccc2c(c1)CCN(Cc1cnc(N3CCOCC3)s1)C2.
What is the InChIKey of 4-[5-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-2-yl]morpholine?
The InChIKey is BGIWQTKQRVJLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-22-16-3-2-15-12-20(5-4-14(15)10-16)13-17-11-19-18(24-17)21-6-8-23-9-7-21/h2-3,10-11H,4-9,12-13H2,1H3.
What are the key properties of 4-[5-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-2-yl]morpholine?
4-[5-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-2-yl]morpholine has a molecular weight of 345.47 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-2-yl]morpholine is sourced from PubChem (CID 77091734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).