6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]isoquinolin-5-amine

C15H15N3OS — CID 106948611

IUPAC6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]isoquinolin-5-amine
SMILESCc1ncsc1CCOc1ccc2cnccc2c1N
InChIInChI=1S/C15H15N3OS/c1-10-14(20-9-18-10)5-7-19-13-3-2-11-8-17-6-4-12(11)15(13)16/h2-4,6,8-9H,5,7,16H2,1H3
InChIKeyQUINQZIOIGTQSV-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.20
Rot. Bonds4

About 6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]isoquinolin-5-amine

6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]isoquinolin-5-amine (PubChem CID 106948611) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]isoquinolin-5-amine.

Molecular Properties

Compound Name6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]isoquinolin-5-amine
PubChem CID106948611
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]isoquinolin-5-amine
SMILESCc1ncsc1CCOc1ccc2cnccc2c1N
InChIInChI=1S/C15H15N3OS/c1-10-14(20-9-18-10)5-7-19-13-3-2-11-8-17-6-4-12(11)15(13)16/h2-4,6,8-9H,5,7,16H2,1H3
InChIKeyQUINQZIOIGTQSV-UHFFFAOYSA-N
XLogP3.20
TPSA61.03 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 ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[[4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-3-pyridinyl]methyl]propan-1-amine
CID 81253660
2-amino-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzonitrile
CID 104717167
3-amino-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzonitrile
CID 43518282
2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-1,3-thiazol-5-amine
CID 102769344
2-(4-methyl-1,3-thiazol-5-yl)ethyl 4-methylpyridine-3-carboxylate
CID 75376218
(1S)-1-[3-bromo-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanamine
CID 63370489
O-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]hydroxylamine
CID 11228942
5-[2-(2,5-dimethylphenoxy)ethyl]-4-methyl-1,3-thiazole
CID 79502670
5-bromo-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzenesulfonamide
CID 82915384
1-[3-bromo-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]propan-2-amine
CID 63050480
2-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propoxy]aniline
CID 43174424
[1-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]isoquinolin-4-yl]methanamine
CID 106777282

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]isoquinolin-5-amine?
The IUPAC name of 6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]isoquinolin-5-amine (CID 106948611) is 6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]isoquinolin-5-amine.
What is the SMILES notation for 6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]isoquinolin-5-amine?
The canonical SMILES for 6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]isoquinolin-5-amine is Cc1ncsc1CCOc1ccc2cnccc2c1N.
What is the InChIKey of 6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]isoquinolin-5-amine?
The InChIKey is QUINQZIOIGTQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-10-14(20-9-18-10)5-7-19-13-3-2-11-8-17-6-4-12(11)15(13)16/h2-4,6,8-9H,5,7,16H2,1H3.
What are the key properties of 6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]isoquinolin-5-amine?
6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]isoquinolin-5-amine has a molecular weight of 285.37 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]isoquinolin-5-amine is sourced from PubChem (CID 106948611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).