N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-butylaniline

C16H23N3S — CID 66386087

IUPACN-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-butylaniline
SMILESCCCCN(Cc1csc(CCN)n1)c1ccccc1
InChIInChI=1S/C16H23N3S/c1-2-3-11-19(15-7-5-4-6-8-15)12-14-13-20-16(18-14)9-10-17/h4-8,13H,2-3,9-12,17H2,1H3
InChIKeyHOFUZGLHUQKOFP-UHFFFAOYSA-N
MW289.45 g/mol
LogP3.45
Rot. Bonds8

About N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-butylaniline

N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-butylaniline (PubChem CID 66386087) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-butylaniline.

Molecular Properties

Compound NameN-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-butylaniline
PubChem CID66386087
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC NameN-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-butylaniline
SMILESCCCCN(Cc1csc(CCN)n1)c1ccccc1
InChIInChI=1S/C16H23N3S/c1-2-3-11-19(15-7-5-4-6-8-15)12-14-13-20-16(18-14)9-10-17/h4-8,13H,2-3,9-12,17H2,1H3
InChIKeyHOFUZGLHUQKOFP-UHFFFAOYSA-N
XLogP3.45
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-butylaniline 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

N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-ethyl-4-methylaniline
CID 66388647
N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-ethyl-3-fluoroaniline
CID 66390575
2-[4-[[methyl(2-phenylethyl)amino]methyl]-1,3-thiazol-2-yl]ethanamine
CID 66386882
N-[[2-(2-aminoethyl)phenyl]methyl]-N-butylaniline
CID 64586180
N'-benzyl-N'-[(2-propyl-1,3-thiazol-4-yl)methyl]ethane-1,2-diamine
CID 104859057
N-[[4-(aminomethyl)phenyl]methyl]-N-butylaniline
CID 64584404
N-butyl-N-[(6-chloro-2-pyridinyl)methyl]aniline
CID 79241318
N-[[3-(aminomethyl)phenyl]methyl]-N-butylaniline
CID 64584405
N-[[2-(aminomethyl)-5-fluorophenyl]methyl]-N-butylaniline
CID 64763898
6-[(N-butylanilino)methyl]-N-ethylpyridin-2-amine
CID 79234624
N'-benzyl-N'-[(4-propyl-1,3-thiazol-2-yl)methyl]ethane-1,2-diamine
CID 120844378
2-[4-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]ethanamine
CID 66389599

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-butylaniline?
The IUPAC name of N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-butylaniline (CID 66386087) is N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-butylaniline.
What is the SMILES notation for N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-butylaniline?
The canonical SMILES for N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-butylaniline is CCCCN(Cc1csc(CCN)n1)c1ccccc1.
What is the InChIKey of N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-butylaniline?
The InChIKey is HOFUZGLHUQKOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S/c1-2-3-11-19(15-7-5-4-6-8-15)12-14-13-20-16(18-14)9-10-17/h4-8,13H,2-3,9-12,17H2,1H3.
What are the key properties of N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-butylaniline?
N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-butylaniline has a molecular weight of 289.45 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-butylaniline is sourced from PubChem (CID 66386087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).