1-isoquinolin-5-yl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine

C15H15N3S — CID 55119046

IUPAC1-isoquinolin-5-yl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCc1csc(CC(N)c2cccc3cnccc23)n1
InChIInChI=1S/C15H15N3S/c1-10-9-19-15(18-10)7-14(16)13-4-2-3-11-8-17-6-5-12(11)13/h2-6,8-9,14H,7,16H2,1H3
InChIKeyPALREPKXFSFGGE-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.24
Rot. Bonds3

About 1-isoquinolin-5-yl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine

1-isoquinolin-5-yl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine (PubChem CID 55119046) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 1-isoquinolin-5-yl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-isoquinolin-5-yl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
PubChem CID55119046
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC Name1-isoquinolin-5-yl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCc1csc(CC(N)c2cccc3cnccc23)n1
InChIInChI=1S/C15H15N3S/c1-10-9-19-15(18-10)7-14(16)13-4-2-3-11-8-17-6-5-12(11)13/h2-6,8-9,14H,7,16H2,1H3
InChIKeyPALREPKXFSFGGE-UHFFFAOYSA-N
XLogP3.24
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-isoquinolin-4-yl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 63940953
1-isoquinolin-8-yl-2-(4-methyl-1,3-thiazol-2-yl)ethanol
CID 103143412
2-(4-methyl-1,3-thiazol-2-yl)-1-quinolin-5-ylethanamine
CID 81231313
(1S)-1-isoquinolin-5-ylpropan-1-amine
CID 55253697
1-isoquinolin-5-yl-2-pyridin-3-ylethanamine
CID 62814184
2-amino-2-isoquinolin-5-ylethanol
CID 55271452
isoquinolin-5-yl-(6-methyl-3-pyridinyl)methanamine
CID 105143585
2-(2,4-difluorophenyl)-1-isoquinolin-5-ylethanamine
CID 64560423
N',N'-diethyl-1-isoquinolin-5-ylpropane-1,3-diamine
CID 79086923
1-isoquinolin-5-yl-2-propylsulfanylethanamine
CID 65128548
2-(4-methyl-1,3-thiazol-2-yl)-1-(2,4,5-trimethylphenyl)ethanamine
CID 64989653
1-isoquinolin-5-yl-2-methylbutan-1-amine
CID 63719434

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-5-yl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of 1-isoquinolin-5-yl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine (CID 55119046) is 1-isoquinolin-5-yl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for 1-isoquinolin-5-yl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for 1-isoquinolin-5-yl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine is Cc1csc(CC(N)c2cccc3cnccc23)n1.
What is the InChIKey of 1-isoquinolin-5-yl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is PALREPKXFSFGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c1-10-9-19-15(18-10)7-14(16)13-4-2-3-11-8-17-6-5-12(11)13/h2-6,8-9,14H,7,16H2,1H3.
What are the key properties of 1-isoquinolin-5-yl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine?
1-isoquinolin-5-yl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine has a molecular weight of 269.37 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-5-yl-2-(4-methyl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 55119046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).