N-[[3-(difluoromethyl)phenyl]methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine

C15H18F2N2S — CID 115526384

IUPACN-[[3-(difluoromethyl)phenyl]methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
SMILESCc1nc(C)c(C(C)NCc2cccc(C(F)F)c2)s1
InChIInChI=1S/C15H18F2N2S/c1-9(14-10(2)19-11(3)20-14)18-8-12-5-4-6-13(7-12)15(16)17/h4-7,9,15,18H,8H2,1-3H3
InChIKeyAHXOSESPIGOCJB-UHFFFAOYSA-N
MW296.39 g/mol
LogP4.55
Rot. Bonds5

About N-[[3-(difluoromethyl)phenyl]methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine

N-[[3-(difluoromethyl)phenyl]methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine (PubChem CID 115526384) has the molecular formula C15H18F2N2S and a molecular weight of 296.39 g/mol. Its IUPAC name is N-[[3-(difluoromethyl)phenyl]methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-[[3-(difluoromethyl)phenyl]methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
PubChem CID115526384
Molecular FormulaC15H18F2N2S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC NameN-[[3-(difluoromethyl)phenyl]methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
SMILESCc1nc(C)c(C(C)NCc2cccc(C(F)F)c2)s1
InChIInChI=1S/C15H18F2N2S/c1-9(14-10(2)19-11(3)20-14)18-8-12-5-4-6-13(7-12)15(16)17/h4-7,9,15,18H,8H2,1-3H3
InChIKeyAHXOSESPIGOCJB-UHFFFAOYSA-N
XLogP4.55
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[3-(difluoromethyl)phenyl]methyl]-1-(2,4-dimethyl-1,3-thiazol-5-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

1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 61060540
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 61060387
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(pyridin-4-ylmethyl)ethanamine
CID 61060970
4-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]-N,N-dimethylaniline
CID 61061113
4-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]-2-methoxyphenol
CID 61061276
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(4-propoxyphenyl)methyl]ethanamine
CID 61059460
1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)-N-[(3-methylphenyl)methyl]ethanamine
CID 43768791
N-[(2-chloro-3-fluorophenyl)methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
CID 112651900
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 55149649
1-(3,4-dichlorophenyl)-N-[[3-(difluoromethyl)phenyl]methyl]ethanamine
CID 115526020
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(4-methylsulfonylphenyl)methyl]ethanamine
CID 61069028
N-[(2-bromophenyl)methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
CID 61059932

Frequently Asked Questions

What is the IUPAC name of N-[[3-(difluoromethyl)phenyl]methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine?
The IUPAC name of N-[[3-(difluoromethyl)phenyl]methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine (CID 115526384) is N-[[3-(difluoromethyl)phenyl]methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for N-[[3-(difluoromethyl)phenyl]methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for N-[[3-(difluoromethyl)phenyl]methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine is Cc1nc(C)c(C(C)NCc2cccc(C(F)F)c2)s1.
What is the InChIKey of N-[[3-(difluoromethyl)phenyl]methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine?
The InChIKey is AHXOSESPIGOCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2S/c1-9(14-10(2)19-11(3)20-14)18-8-12-5-4-6-13(7-12)15(16)17/h4-7,9,15,18H,8H2,1-3H3.
What are the key properties of N-[[3-(difluoromethyl)phenyl]methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine?
N-[[3-(difluoromethyl)phenyl]methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine has a molecular weight of 296.39 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(difluoromethyl)phenyl]methyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 115526384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).