(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methyl-4-phenyl-1,3-thiazol-5-yl)methanone

C22H22N2O3S — CID 38211021

IUPAC(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methyl-4-phenyl-1,3-thiazol-5-yl)methanone
SMILESCOc1cc2c(cc1OC)CN(C(=O)c1sc(C)nc1-c1ccccc1)CC2
InChIInChI=1S/C22H22N2O3S/c1-14-23-20(15-7-5-4-6-8-15)21(28-14)22(25)24-10-9-16-11-18(26-2)19(27-3)12-17(16)13-24/h4-8,11-12H,9-10,13H2,1-3H3
InChIKeyMRYYJIAFQVSBOF-UHFFFAOYSA-N
MW394.50 g/mol
LogP4.33
Rot. Bonds4

About (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methyl-4-phenyl-1,3-thiazol-5-yl)methanone

(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methyl-4-phenyl-1,3-thiazol-5-yl)methanone (PubChem CID 38211021) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methyl-4-phenyl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methyl-4-phenyl-1,3-thiazol-5-yl)methanone
PubChem CID38211021
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC Name(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methyl-4-phenyl-1,3-thiazol-5-yl)methanone
SMILESCOc1cc2c(cc1OC)CN(C(=O)c1sc(C)nc1-c1ccccc1)CC2
InChIInChI=1S/C22H22N2O3S/c1-14-23-20(15-7-5-4-6-8-15)21(28-14)22(25)24-10-9-16-11-18(26-2)19(27-3)12-17(16)13-24/h4-8,11-12H,9-10,13H2,1-3H3
InChIKeyMRYYJIAFQVSBOF-UHFFFAOYSA-N
XLogP4.33
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methyl-4-phenyl-1,3-thiazol-5-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

(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone
CID 110649173
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-phenylthiadiazol-5-yl)methanone
CID 51048790
(2-methyl-4-phenyl-1,3-thiazol-5-yl)-pyrrolidin-1-ylmethanone
CID 24638936
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone
CID 780505
(2-methyl-4-phenyl-1,3-thiazol-5-yl)-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)methanone
CID 166210041
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(6-phenylnaphthalen-2-yl)methanone
CID 175966427
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(6-phenylpyridazin-3-yl)methanone
CID 113200585
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-pyridazin-3-ylmethanone
CID 110855244
[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-(2-methyl-4-phenyl-1,3-thiazol-5-yl)methanone
CID 112800819
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-pyridin-4-ylmethanone
CID 4839684
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 38446939
(5-bromothiophen-2-yl)-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 26887367

Frequently Asked Questions

What is the IUPAC name of (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methyl-4-phenyl-1,3-thiazol-5-yl)methanone?
The IUPAC name of (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methyl-4-phenyl-1,3-thiazol-5-yl)methanone (CID 38211021) is (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methyl-4-phenyl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methyl-4-phenyl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methyl-4-phenyl-1,3-thiazol-5-yl)methanone is COc1cc2c(cc1OC)CN(C(=O)c1sc(C)nc1-c1ccccc1)CC2.
What is the InChIKey of (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methyl-4-phenyl-1,3-thiazol-5-yl)methanone?
The InChIKey is MRYYJIAFQVSBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S/c1-14-23-20(15-7-5-4-6-8-15)21(28-14)22(25)24-10-9-16-11-18(26-2)19(27-3)12-17(16)13-24/h4-8,11-12H,9-10,13H2,1-3H3.
What are the key properties of (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methyl-4-phenyl-1,3-thiazol-5-yl)methanone?
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methyl-4-phenyl-1,3-thiazol-5-yl)methanone has a molecular weight of 394.50 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methyl-4-phenyl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 38211021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).