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

C16H17N3OS — CID 106777282

IUPAC[1-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]isoquinolin-4-yl]methanamine
SMILESCc1ncsc1CCOc1ncc(CN)c2ccccc12
InChIInChI=1S/C16H17N3OS/c1-11-15(21-10-19-11)6-7-20-16-14-5-3-2-4-13(14)12(8-17)9-18-16/h2-5,9-10H,6-8,17H2,1H3
InChIKeyAPTAUSGPNKNITK-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.08
Rot. Bonds5

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

[1-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]isoquinolin-4-yl]methanamine (PubChem CID 106777282) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is [1-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]isoquinolin-4-yl]methanamine.

Molecular Properties

Compound Name[1-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]isoquinolin-4-yl]methanamine
PubChem CID106777282
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name[1-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]isoquinolin-4-yl]methanamine
SMILESCc1ncsc1CCOc1ncc(CN)c2ccccc12
InChIInChI=1S/C16H17N3OS/c1-11-15(21-10-19-11)6-7-20-16-14-5-3-2-4-13(14)12(8-17)9-18-16/h2-5,9-10H,6-8,17H2,1H3
InChIKeyAPTAUSGPNKNITK-UHFFFAOYSA-N
XLogP3.08
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridin-3-amine
CID 62475742
[1-(4-methylpentoxy)isoquinolin-4-yl]methanamine
CID 106777326
(1-methylisoquinolin-4-yl)methanamine
CID 105435219
5-[2-[(3-bromo-2-pyridinyl)oxy]ethyl]-4-methyl-1,3-thiazole
CID 61373558
4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]quinazolin-7-amine
CID 65336420
O-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]hydroxylamine
CID 11228942
N'-hydroxy-3-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzenecarboximidamide
CID 107109654
methyl 3-amino-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzoate
CID 115935655
[5-chloro-3-methoxy-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methanamine
CID 104664167
2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-1,3-thiazol-5-amine
CID 102769344
1-[3-chloro-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]propan-2-amine
CID 115958359
5-methoxy-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-1H-pyrimidin-6-one
CID 103240600

Frequently Asked Questions

What is the IUPAC name of [1-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]isoquinolin-4-yl]methanamine?
The IUPAC name of [1-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]isoquinolin-4-yl]methanamine (CID 106777282) is [1-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]isoquinolin-4-yl]methanamine.
What is the SMILES notation for [1-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]isoquinolin-4-yl]methanamine?
The canonical SMILES for [1-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]isoquinolin-4-yl]methanamine is Cc1ncsc1CCOc1ncc(CN)c2ccccc12.
What is the InChIKey of [1-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]isoquinolin-4-yl]methanamine?
The InChIKey is APTAUSGPNKNITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-11-15(21-10-19-11)6-7-20-16-14-5-3-2-4-13(14)12(8-17)9-18-16/h2-5,9-10H,6-8,17H2,1H3.
What are the key properties of [1-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]isoquinolin-4-yl]methanamine?
[1-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]isoquinolin-4-yl]methanamine has a molecular weight of 299.40 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]isoquinolin-4-yl]methanamine is sourced from PubChem (CID 106777282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).