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

C15H15N3OS — CID 106537936

IUPAC7-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]isoquinolin-1-amine
SMILESCOc1ccc2ccnc(NCc3csc(C)n3)c2c1
InChIInChI=1S/C15H15N3OS/c1-10-18-12(9-20-10)8-17-15-14-7-13(19-2)4-3-11(14)5-6-16-15/h3-7,9H,8H2,1-2H3,(H,16,17)
InChIKeyUYLWALIAZKXEIX-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.62
Rot. Bonds4

About 7-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]isoquinolin-1-amine

7-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]isoquinolin-1-amine (PubChem CID 106537936) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 7-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]isoquinolin-1-amine.

Molecular Properties

Compound Name7-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]isoquinolin-1-amine
PubChem CID106537936
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name7-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]isoquinolin-1-amine
SMILESCOc1ccc2ccnc(NCc3csc(C)n3)c2c1
InChIInChI=1S/C15H15N3OS/c1-10-18-12(9-20-10)8-17-15-14-7-13(19-2)4-3-11(14)5-6-16-15/h3-7,9H,8H2,1-2H3,(H,16,17)
InChIKeyUYLWALIAZKXEIX-UHFFFAOYSA-N
XLogP3.62
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]isoquinolin-1-amine with MolForge

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Related Compounds

7-methoxy-N-[(3-methylthiophen-2-yl)methyl]isoquinolin-1-amine
CID 106539104
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-[1,3]dioxolo[4,5-g]isoquinolin-5-amine
CID 106537932
7-methoxy-N-(pyridin-4-ylmethyl)isoquinolin-1-amine
CID 106537423
3-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-amine
CID 115868240
7-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]isoquinolin-1-amine
CID 106402604
6-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-benzothiazol-2-amine
CID 79518208
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7-methoxyisoquinolin-1-amine
CID 106539045
N-(2,3-dimethylbutyl)-7-methoxyisoquinolin-1-amine
CID 106538802
methyl 2-[(7-methoxyisoquinolin-1-yl)amino]acetate
CID 106537314
6-methoxy-N-[(1-methylpyrazol-3-yl)methyl]isoquinolin-1-amine
CID 106539270
N-(7-methoxyisoquinolin-1-yl)-N',N'-dimethylpropane-1,3-diamine
CID 106537368
N-(2-chloroprop-2-enyl)-7-methoxyisoquinolin-1-amine
CID 106539492

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]isoquinolin-1-amine?
The IUPAC name of 7-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]isoquinolin-1-amine (CID 106537936) is 7-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]isoquinolin-1-amine.
What is the SMILES notation for 7-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]isoquinolin-1-amine?
The canonical SMILES for 7-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]isoquinolin-1-amine is COc1ccc2ccnc(NCc3csc(C)n3)c2c1.
What is the InChIKey of 7-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]isoquinolin-1-amine?
The InChIKey is UYLWALIAZKXEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-10-18-12(9-20-10)8-17-15-14-7-13(19-2)4-3-11(14)5-6-16-15/h3-7,9H,8H2,1-2H3,(H,16,17).
What are the key properties of 7-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]isoquinolin-1-amine?
7-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]isoquinolin-1-amine has a molecular weight of 285.37 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]isoquinolin-1-amine is sourced from PubChem (CID 106537936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).