N-ethyl-N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-3-fluoroaniline

C15H20FN3S — CID 62428476

IUPACN-ethyl-N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-3-fluoroaniline
SMILESCCNCc1nc(CN(CC)c2cccc(F)c2)cs1
InChIInChI=1S/C15H20FN3S/c1-3-17-9-15-18-13(11-20-15)10-19(4-2)14-7-5-6-12(16)8-14/h5-8,11,17H,3-4,9-10H2,1-2H3
InChIKeyNZKIFVGXEJEOTE-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.42
Rot. Bonds7

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

N-ethyl-N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-3-fluoroaniline (PubChem CID 62428476) has the molecular formula C15H20FN3S and a molecular weight of 293.41 g/mol. Its IUPAC name is N-ethyl-N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-3-fluoroaniline.

Molecular Properties

Compound NameN-ethyl-N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-3-fluoroaniline
PubChem CID62428476
Molecular FormulaC15H20FN3S
Molecular Weight293.41 g/mol
Exact Mass293.14
IUPAC NameN-ethyl-N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-3-fluoroaniline
SMILESCCNCc1nc(CN(CC)c2cccc(F)c2)cs1
InChIInChI=1S/C15H20FN3S/c1-3-17-9-15-18-13(11-20-15)10-19(4-2)14-7-5-6-12(16)8-14/h5-8,11,17H,3-4,9-10H2,1-2H3
InChIKeyNZKIFVGXEJEOTE-UHFFFAOYSA-N
XLogP3.42
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-ethyl-N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-3-fluoroaniline 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
4-[(N-ethyl-3-fluoroanilino)methyl]-1,3-thiazole-2-carbohydrazide
CID 63584494
N-[[4-[[(3-bromophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 62462709
N-[[2-[(cyclopropylamino)methyl]-1,3-thiazol-4-yl]methyl]-3-fluoro-N-methylaniline
CID 62435139
N-[[4-[[(4-bromophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 62412254
N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-phenylethanamine
CID 65488457
N-[[4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 62462221
N-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-N-ethyl-3-methylaniline
CID 61104342
N-[[4-[[furan-3-ylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 62462365
N-[[4-[[cyclopropylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 62426744
2-[2-[(N-ethyl-3-methylanilino)methyl]-1,3-thiazol-4-yl]acetic acid
CID 39159567
N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-methyl-2-pyridin-2-ylethanamine
CID 62419199

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-3-fluoroaniline?
The IUPAC name of N-ethyl-N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-3-fluoroaniline (CID 62428476) is N-ethyl-N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-3-fluoroaniline.
What is the SMILES notation for N-ethyl-N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-3-fluoroaniline?
The canonical SMILES for N-ethyl-N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-3-fluoroaniline is CCNCc1nc(CN(CC)c2cccc(F)c2)cs1.
What is the InChIKey of N-ethyl-N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-3-fluoroaniline?
The InChIKey is NZKIFVGXEJEOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3S/c1-3-17-9-15-18-13(11-20-15)10-19(4-2)14-7-5-6-12(16)8-14/h5-8,11,17H,3-4,9-10H2,1-2H3.
What are the key properties of N-ethyl-N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-3-fluoroaniline?
N-ethyl-N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-3-fluoroaniline has a molecular weight of 293.41 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-3-fluoroaniline is sourced from PubChem (CID 62428476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).