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

C16H17N3S — CID 115908048

IUPACN-(isoquinolin-4-ylmethyl)-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCc1cnc(C(C)NCc2cncc3ccccc23)s1
InChIInChI=1S/C16H17N3S/c1-11-7-19-16(20-11)12(2)18-10-14-9-17-8-13-5-3-4-6-15(13)14/h3-9,12,18H,10H2,1-2H3
InChIKeyCOJLEWRGPUVZKT-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.85
Rot. Bonds4

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

N-(isoquinolin-4-ylmethyl)-1-(5-methyl-1,3-thiazol-2-yl)ethanamine (PubChem CID 115908048) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-(isoquinolin-4-ylmethyl)-1-(5-methyl-1,3-thiazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-(isoquinolin-4-ylmethyl)-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
PubChem CID115908048
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC NameN-(isoquinolin-4-ylmethyl)-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
SMILESCc1cnc(C(C)NCc2cncc3ccccc23)s1
InChIInChI=1S/C16H17N3S/c1-11-7-19-16(20-11)12(2)18-10-14-9-17-8-13-5-3-4-6-15(13)14/h3-9,12,18H,10H2,1-2H3
InChIKeyCOJLEWRGPUVZKT-UHFFFAOYSA-N
XLogP3.85
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(isoquinolin-4-ylmethyl)-1-(5-methyl-1,3-thiazol-2-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(S)-N1-(2-(isoquinolin-6-yl)thiazol-5-yl)-3-(4-(trifluoromethyl)phenyl)propane-1,2-diamine
CID 46880292
N'-(5,6,7,8-tetrahydroquinolin-8-yl)-N'-(thiazol-2-ylmethyl)butane-1,4-diamine
CID 46888704
US11608337, Example 14
CID 132085819
7-(2-Methyl-1,3-thiazol-5-yl)-4-(propan-2-ylamino)quinoline-3-carbonitrile
CID 71579330
5-[(5-Methyl-3-pyridinyl)methyl]-2-phenyl-1,3-thiazole
CID 137638612
2-(2-Propyl-5-o-tolyl-thiazol-4-yl)-pyridin-4-ylamine
CID 44367384
2-(2,5-Di-o-tolyl-thiazol-4-yl)-pyridine
CID 9949954
2-(2-Benzyl-5-o-tolyl-thiazol-4-yl)-pyridine
CID 22911711
2-(2-Propyl-5-o-tolyl-thiazol-4-yl)-pyridine
CID 44367327
(R)-1-phenyl-N-((2-phenyl-1,3-thiazol-5-yl)methyl)ethanamine
CID 44542480
1-[2-(2-methylphenyl)-1,3-thiazol-5-yl]-N-[(5-methylpyrazin-2-yl)methyl]methanamine
CID 50977090
2-Methyl-5-(2-methylphenyl)-4-pyridin-2-yl-1,3-thiazole
CID 44367343

Frequently Asked Questions

What is the IUPAC name of N-(isoquinolin-4-ylmethyl)-1-(5-methyl-1,3-thiazol-2-yl)ethanamine?
The IUPAC name of N-(isoquinolin-4-ylmethyl)-1-(5-methyl-1,3-thiazol-2-yl)ethanamine (CID 115908048) is N-(isoquinolin-4-ylmethyl)-1-(5-methyl-1,3-thiazol-2-yl)ethanamine.
What is the SMILES notation for N-(isoquinolin-4-ylmethyl)-1-(5-methyl-1,3-thiazol-2-yl)ethanamine?
The canonical SMILES for N-(isoquinolin-4-ylmethyl)-1-(5-methyl-1,3-thiazol-2-yl)ethanamine is Cc1cnc(C(C)NCc2cncc3ccccc23)s1.
What is the InChIKey of N-(isoquinolin-4-ylmethyl)-1-(5-methyl-1,3-thiazol-2-yl)ethanamine?
The InChIKey is COJLEWRGPUVZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-11-7-19-16(20-11)12(2)18-10-14-9-17-8-13-5-3-4-6-15(13)14/h3-9,12,18H,10H2,1-2H3.
What are the key properties of N-(isoquinolin-4-ylmethyl)-1-(5-methyl-1,3-thiazol-2-yl)ethanamine?
N-(isoquinolin-4-ylmethyl)-1-(5-methyl-1,3-thiazol-2-yl)ethanamine has a molecular weight of 283.40 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(isoquinolin-4-ylmethyl)-1-(5-methyl-1,3-thiazol-2-yl)ethanamine is sourced from PubChem (CID 115908048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).