1-[2-[(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-5-yl]-N,N-dimethylmethanamine

C18H25N3S — CID 126838082

IUPAC1-[2-[(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-5-yl]-N,N-dimethylmethanamine
SMILESCCC1c2ccccc2CCN1Cc1ncc(CN(C)C)s1
InChIInChI=1S/C18H25N3S/c1-4-17-16-8-6-5-7-14(16)9-10-21(17)13-18-19-11-15(22-18)12-20(2)3/h5-8,11,17H,4,9-10,12-13H2,1-3H3
InChIKeyAETKPYYDBABCQI-UHFFFAOYSA-N
MW315.49 g/mol
LogP3.71
Rot. Bonds5

About 1-[2-[(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-5-yl]-N,N-dimethylmethanamine

1-[2-[(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-5-yl]-N,N-dimethylmethanamine (PubChem CID 126838082) has the molecular formula C18H25N3S and a molecular weight of 315.49 g/mol. Its IUPAC name is 1-[2-[(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-5-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[2-[(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-5-yl]-N,N-dimethylmethanamine
PubChem CID126838082
Molecular FormulaC18H25N3S
Molecular Weight315.49 g/mol
Exact Mass315.18
IUPAC Name1-[2-[(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-5-yl]-N,N-dimethylmethanamine
SMILESCCC1c2ccccc2CCN1Cc1ncc(CN(C)C)s1
InChIInChI=1S/C18H25N3S/c1-4-17-16-8-6-5-7-14(16)9-10-21(17)13-18-19-11-15(22-18)12-20(2)3/h5-8,11,17H,4,9-10,12-13H2,1-3H3
InChIKeyAETKPYYDBABCQI-UHFFFAOYSA-N
XLogP3.71
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.49
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-[(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-5-yl]-N,N-dimethylmethanamine with MolForge

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Related Compounds

N-[[5-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 126811695
5-[(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole
CID 166194715
(1S)-2-[(1-tert-butyltetrazol-5-yl)methyl]-1-ethyl-3,4-dihydro-1H-isoquinoline
CID 99784617
1-(1,2-diethyl-3,4-dihydro-1H-isoquinolin-6-yl)-N,N-dimethylmethanamine
CID 112721605
3-[(1S)-1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid
CID 97317221
1-[2-[[(4aS,8aR)-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazin-1-yl]methyl]-1,3-thiazol-5-yl]-N,N-dimethylmethanamine
CID 124738829
1-[2-[[(4aR,8aS)-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazin-1-yl]methyl]-1,3-thiazol-5-yl]-N,N-dimethylmethanamine
CID 124738832
1-[2-[[(4aR,8aR)-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazin-1-yl]methyl]-1,3-thiazol-5-yl]-N,N-dimethylmethanamine
CID 124738830
5-[(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 86952151
(2S)-1-[(1R)-1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl]-3-methoxypropan-2-ol
CID 95627839
2-[2-(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)ethoxy]ethanol
CID 111439749
(1S)-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 97227693

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-5-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[2-[(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-5-yl]-N,N-dimethylmethanamine (CID 126838082) is 1-[2-[(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-5-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[2-[(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-5-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[2-[(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-5-yl]-N,N-dimethylmethanamine is CCC1c2ccccc2CCN1Cc1ncc(CN(C)C)s1.
What is the InChIKey of 1-[2-[(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-5-yl]-N,N-dimethylmethanamine?
The InChIKey is AETKPYYDBABCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3S/c1-4-17-16-8-6-5-7-14(16)9-10-21(17)13-18-19-11-15(22-18)12-20(2)3/h5-8,11,17H,4,9-10,12-13H2,1-3H3.
What are the key properties of 1-[2-[(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-5-yl]-N,N-dimethylmethanamine?
1-[2-[(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-5-yl]-N,N-dimethylmethanamine has a molecular weight of 315.49 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-5-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 126838082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).