2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]acetamide

C19H22F3N3O3S — CID 119036336

IUPAC2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]acetamide
SMILESCOc1cc2c(cc1OC)CN(CC(=O)NC(C)c1nc(C(F)(F)F)cs1)CC2
InChIInChI=1S/C19H22F3N3O3S/c1-11(18-24-16(10-29-18)19(20,21)22)23-17(26)9-25-5-4-12-6-14(27-2)15(28-3)7-13(12)8-25/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,23,26)
InChIKeyNIRHSVFNUJKRPX-UHFFFAOYSA-N
MW429.46 g/mol
LogP3.41
Rot. Bonds6

About 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]acetamide

2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]acetamide (PubChem CID 119036336) has the molecular formula C19H22F3N3O3S and a molecular weight of 429.46 g/mol. Its IUPAC name is 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]acetamide
PubChem CID119036336
Molecular FormulaC19H22F3N3O3S
Molecular Weight429.46 g/mol
Exact Mass429.13
IUPAC Name2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]acetamide
SMILESCOc1cc2c(cc1OC)CN(CC(=O)NC(C)c1nc(C(F)(F)F)cs1)CC2
InChIInChI=1S/C19H22F3N3O3S/c1-11(18-24-16(10-29-18)19(20,21)22)23-17(26)9-25-5-4-12-6-14(27-2)15(28-3)7-13(12)8-25/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,23,26)
InChIKeyNIRHSVFNUJKRPX-UHFFFAOYSA-N
XLogP3.41
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.46
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(1S)-1-naphthalen-1-ylethyl]acetamide
CID 8786713
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 8786735
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]acetamide
CID 51598595
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetohydrazide
CID 30617763
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-(trifluoromethyl)-1,3-thiazole
CID 155800311
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetyl chloride
CID 142769161
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 41173633
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 8760829
propan-2-yl 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetate
CID 60690207
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-phenylacetamide
CID 4899379
N-benzyl-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 4905131
N-(cyclopentylcarbamoyl)-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 8760393

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]acetamide?
The IUPAC name of 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]acetamide (CID 119036336) is 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]acetamide.
What is the SMILES notation for 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]acetamide?
The canonical SMILES for 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]acetamide is COc1cc2c(cc1OC)CN(CC(=O)NC(C)c1nc(C(F)(F)F)cs1)CC2.
What is the InChIKey of 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]acetamide?
The InChIKey is NIRHSVFNUJKRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O3S/c1-11(18-24-16(10-29-18)19(20,21)22)23-17(26)9-25-5-4-12-6-14(27-2)15(28-3)7-13(12)8-25/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,23,26).
What are the key properties of 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]acetamide?
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]acetamide has a molecular weight of 429.46 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]acetamide is sourced from PubChem (CID 119036336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).