2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole

C15H15F3N2O2S — CID 155800311

IUPAC2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole
SMILESCOc1cc2c(cc1OC)CN(c1nc(C(F)(F)F)cs1)CC2
InChIInChI=1S/C15H15F3N2O2S/c1-21-11-5-9-3-4-20(7-10(9)6-12(11)22-2)14-19-13(8-23-14)15(16,17)18/h5-6,8H,3-4,7H2,1-2H3
InChIKeyCRCDDBGDBHOOTD-UHFFFAOYSA-N
MW344.36 g/mol
LogP3.74
Rot. Bonds3

About 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole

2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 155800311) has the molecular formula C15H15F3N2O2S and a molecular weight of 344.36 g/mol. Its IUPAC name is 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole
PubChem CID155800311
Molecular FormulaC15H15F3N2O2S
Molecular Weight344.36 g/mol
Exact Mass344.08
IUPAC Name2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole
SMILESCOc1cc2c(cc1OC)CN(c1nc(C(F)(F)F)cs1)CC2
InChIInChI=1S/C15H15F3N2O2S/c1-21-11-5-9-3-4-20(7-10(9)6-12(11)22-2)14-19-13(8-23-14)15(16,17)18/h5-6,8H,3-4,7H2,1-2H3
InChIKeyCRCDDBGDBHOOTD-UHFFFAOYSA-N
XLogP3.74
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole with MolForge

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Related Compounds

4-bromo-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1,3-thiazole
CID 79399735
2-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole
CID 133422467
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]acetamide
CID 119036336
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4,7-dimethyl-1,3-benzothiazole
CID 52906595
2-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole
CID 171701843
2-(3,5-difluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 165412726
6,7-dimethoxy-2-(6-methoxy-2,5-dimethylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline
CID 99709158
2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-thiazole
CID 133365893
N-tert-butyl-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-methylpyrimidin-2-amine
CID 112924589
2-[4-(2-ethoxyphenyl)piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole
CID 133365976
5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrazin-2-amine
CID 80651956
4-methyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-ol
CID 133446751

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole (CID 155800311) is 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole is COc1cc2c(cc1OC)CN(c1nc(C(F)(F)F)cs1)CC2.
What is the InChIKey of 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is CRCDDBGDBHOOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O2S/c1-21-11-5-9-3-4-20(7-10(9)6-12(11)22-2)14-19-13(8-23-14)15(16,17)18/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole?
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 344.36 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 155800311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).