5-methoxy-N-[2-(1,3-thiazol-4-yl)ethyl]isoquinolin-1-amine

C15H15N3OS — CID 106538603

IUPAC5-methoxy-N-[2-(1,3-thiazol-4-yl)ethyl]isoquinolin-1-amine
SMILESCOc1cccc2c(NCCc3cscn3)nccc12
InChIInChI=1S/C15H15N3OS/c1-19-14-4-2-3-13-12(14)6-8-17-15(13)16-7-5-11-9-20-10-18-11/h2-4,6,8-10H,5,7H2,1H3,(H,16,17)
InChIKeyYDFFHBGRVAEXHH-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.35
Rot. Bonds5

About 5-methoxy-N-[2-(1,3-thiazol-4-yl)ethyl]isoquinolin-1-amine

5-methoxy-N-[2-(1,3-thiazol-4-yl)ethyl]isoquinolin-1-amine (PubChem CID 106538603) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 5-methoxy-N-[2-(1,3-thiazol-4-yl)ethyl]isoquinolin-1-amine.

Molecular Properties

Compound Name5-methoxy-N-[2-(1,3-thiazol-4-yl)ethyl]isoquinolin-1-amine
PubChem CID106538603
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name5-methoxy-N-[2-(1,3-thiazol-4-yl)ethyl]isoquinolin-1-amine
SMILESCOc1cccc2c(NCCc3cscn3)nccc12
InChIInChI=1S/C15H15N3OS/c1-19-14-4-2-3-13-12(14)6-8-17-15(13)16-7-5-11-9-20-10-18-11/h2-4,6,8-10H,5,7H2,1H3,(H,16,17)
InChIKeyYDFFHBGRVAEXHH-UHFFFAOYSA-N
XLogP3.35
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloropropyl)-5-methoxyisoquinolin-1-amine
CID 106542642
5-methoxy-N-pentylisoquinolin-1-amine
CID 106537272
N-(2-ethoxyethyl)-5-methoxyisoquinolin-1-amine
CID 106537643
N-but-3-enyl-5-methoxyisoquinolin-1-amine
CID 106539509
5-methoxy-N-(3-methylsulfinylpropyl)isoquinolin-1-amine
CID 106539682
2-[(5-methoxyisoquinolin-1-yl)amino]ethylurea
CID 106539332
N-[3-[(5-methoxyisoquinolin-1-yl)amino]propyl]methanesulfonamide
CID 106337312
N-hex-5-ynyl-5-methoxyisoquinolin-1-amine
CID 106214608
N-(2,2-dimethoxyethyl)-5-methoxyisoquinolin-1-amine
CID 107389937
5-[(5-methoxyisoquinolin-1-yl)amino]pentanamide
CID 106238801
N-ethyl-3-[(5-methoxyisoquinolin-1-yl)amino]propanamide
CID 106539420
5-methoxy-N-(2-prop-2-ynylsulfanylethyl)isoquinolin-1-amine
CID 106430516

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-[2-(1,3-thiazol-4-yl)ethyl]isoquinolin-1-amine?
The IUPAC name of 5-methoxy-N-[2-(1,3-thiazol-4-yl)ethyl]isoquinolin-1-amine (CID 106538603) is 5-methoxy-N-[2-(1,3-thiazol-4-yl)ethyl]isoquinolin-1-amine.
What is the SMILES notation for 5-methoxy-N-[2-(1,3-thiazol-4-yl)ethyl]isoquinolin-1-amine?
The canonical SMILES for 5-methoxy-N-[2-(1,3-thiazol-4-yl)ethyl]isoquinolin-1-amine is COc1cccc2c(NCCc3cscn3)nccc12.
What is the InChIKey of 5-methoxy-N-[2-(1,3-thiazol-4-yl)ethyl]isoquinolin-1-amine?
The InChIKey is YDFFHBGRVAEXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-19-14-4-2-3-13-12(14)6-8-17-15(13)16-7-5-11-9-20-10-18-11/h2-4,6,8-10H,5,7H2,1H3,(H,16,17).
What are the key properties of 5-methoxy-N-[2-(1,3-thiazol-4-yl)ethyl]isoquinolin-1-amine?
5-methoxy-N-[2-(1,3-thiazol-4-yl)ethyl]isoquinolin-1-amine has a molecular weight of 285.37 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-[2-(1,3-thiazol-4-yl)ethyl]isoquinolin-1-amine is sourced from PubChem (CID 106538603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).