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

C15H21N3S — CID 66388647

IUPACN-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-ethyl-4-methylaniline
SMILESCCN(Cc1csc(CCN)n1)c1ccc(C)cc1
InChIInChI=1S/C15H21N3S/c1-3-18(14-6-4-12(2)5-7-14)10-13-11-19-15(17-13)8-9-16/h4-7,11H,3,8-10,16H2,1-2H3
InChIKeyXZISLYIAIALUJA-UHFFFAOYSA-N
MW275.42 g/mol
LogP2.98
Rot. Bonds6

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

N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-ethyl-4-methylaniline (PubChem CID 66388647) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-ethyl-4-methylaniline.

Molecular Properties

Compound NameN-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-ethyl-4-methylaniline
PubChem CID66388647
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC NameN-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-ethyl-4-methylaniline
SMILESCCN(Cc1csc(CCN)n1)c1ccc(C)cc1
InChIInChI=1S/C15H21N3S/c1-3-18(14-6-4-12(2)5-7-14)10-13-11-19-15(17-13)8-9-16/h4-7,11H,3,8-10,16H2,1-2H3
InChIKeyXZISLYIAIALUJA-UHFFFAOYSA-N
XLogP2.98
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-ethyl-4-methylaniline 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-3-fluoroaniline
CID 66390575
N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-butylaniline
CID 66386087
2-[4-[(2,5-dimethylphenyl)methyl]-1,3-thiazol-2-yl]ethanamine
CID 82086302
2-[2-[2-(4-methylphenoxy)ethyl]-1,3-thiazol-4-yl]ethanamine
CID 28918290
4-chloro-N-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]aniline
CID 167934252
N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-methylcycloheptanamine
CID 66388826
2-[4-[[methyl(2-phenylethyl)amino]methyl]-1,3-thiazol-2-yl]ethanamine
CID 66386882
2-[4-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]ethanamine
CID 66389599
N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-4-methylaniline
CID 62003173
2-[4-[(2,4,6-trimethylphenyl)methyl]-1,3-thiazol-2-yl]ethanamine
CID 82090307
N-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-N-ethyl-3-methylaniline
CID 61104342
N,4-dimethyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]aniline
CID 62429443

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-ethyl-4-methylaniline?
The IUPAC name of N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-ethyl-4-methylaniline (CID 66388647) is N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-ethyl-4-methylaniline.
What is the SMILES notation for N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-ethyl-4-methylaniline?
The canonical SMILES for N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-ethyl-4-methylaniline is CCN(Cc1csc(CCN)n1)c1ccc(C)cc1.
What is the InChIKey of N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-ethyl-4-methylaniline?
The InChIKey is XZISLYIAIALUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-3-18(14-6-4-12(2)5-7-14)10-13-11-19-15(17-13)8-9-16/h4-7,11H,3,8-10,16H2,1-2H3.
What are the key properties of N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-ethyl-4-methylaniline?
N-[[2-(2-aminoethyl)-1,3-thiazol-4-yl]methyl]-N-ethyl-4-methylaniline has a molecular weight of 275.42 g/mol, XLogP of 2.98, 6 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-ethyl-4-methylaniline is sourced from PubChem (CID 66388647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).