1-isoquinolin-1-yl-N-methyl-2-(1,3-thiazol-2-yl)ethanamine

C15H15N3S — CID 79824265

IUPAC1-isoquinolin-1-yl-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
SMILESCNC(Cc1nccs1)c1nccc2ccccc12
InChIInChI=1S/C15H15N3S/c1-16-13(10-14-17-8-9-19-14)15-12-5-3-2-4-11(12)6-7-18-15/h2-9,13,16H,10H2,1H3
InChIKeyNQSLUBSPBPXILU-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.19
Rot. Bonds4

About 1-isoquinolin-1-yl-N-methyl-2-(1,3-thiazol-2-yl)ethanamine

1-isoquinolin-1-yl-N-methyl-2-(1,3-thiazol-2-yl)ethanamine (PubChem CID 79824265) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 1-isoquinolin-1-yl-N-methyl-2-(1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-isoquinolin-1-yl-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
PubChem CID79824265
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC Name1-isoquinolin-1-yl-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
SMILESCNC(Cc1nccs1)c1nccc2ccccc12
InChIInChI=1S/C15H15N3S/c1-16-13(10-14-17-8-9-19-14)15-12-5-3-2-4-11(12)6-7-18-15/h2-9,13,16H,10H2,1H3
InChIKeyNQSLUBSPBPXILU-UHFFFAOYSA-N
XLogP3.19
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-isoquinolin-1-yl-N-methyl-2-(1,3-thiazol-2-yl)ethanamine 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

1-(furan-2-yl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
CID 79825248
2-(4-bromophenyl)-1-isoquinolin-1-yl-N-methylethanamine
CID 63948036
2-(4-fluorophenyl)-1-isoquinolin-1-yl-N-methylethanamine
CID 63950074
(3R)-3-isoquinolin-1-yl-3-(methylamino)propan-1-ol
CID 97167713
1-isoquinolin-1-yl-N,3-dimethylhexan-1-amine
CID 63948446
N-methyl-1-pyrimidin-5-yl-2-(1,3-thiazol-2-yl)ethanamine
CID 102923665
[isoquinolin-1-yl(thiophen-2-yl)methyl]hydrazine
CID 105220571
N-methyl-2-(4-methyl-1,3-thiazol-2-yl)-1-quinolin-4-ylethanamine
CID 105171422
N-[1-quinolin-4-yl-2-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 105169168
1-isoquinolin-1-yl-N-propylpropan-1-amine
CID 63948250
1-(2-bromo-3-fluorophenyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
CID 105014897
1-(2-bromo-6-fluorophenyl)-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
CID 114886949

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-1-yl-N-methyl-2-(1,3-thiazol-2-yl)ethanamine?
The IUPAC name of 1-isoquinolin-1-yl-N-methyl-2-(1,3-thiazol-2-yl)ethanamine (CID 79824265) is 1-isoquinolin-1-yl-N-methyl-2-(1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for 1-isoquinolin-1-yl-N-methyl-2-(1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for 1-isoquinolin-1-yl-N-methyl-2-(1,3-thiazol-2-yl)ethanamine is CNC(Cc1nccs1)c1nccc2ccccc12.
What is the InChIKey of 1-isoquinolin-1-yl-N-methyl-2-(1,3-thiazol-2-yl)ethanamine?
The InChIKey is NQSLUBSPBPXILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c1-16-13(10-14-17-8-9-19-14)15-12-5-3-2-4-11(12)6-7-18-15/h2-9,13,16H,10H2,1H3.
What are the key properties of 1-isoquinolin-1-yl-N-methyl-2-(1,3-thiazol-2-yl)ethanamine?
1-isoquinolin-1-yl-N-methyl-2-(1,3-thiazol-2-yl)ethanamine has a molecular weight of 269.37 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-1-yl-N-methyl-2-(1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 79824265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).