N-[[5-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine

C20H19F3N2O2S — CID 53271911

IUPACN-[[5-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
SMILESCOc1ccc(-c2cnc(CNCc3ccccc3C(F)(F)F)s2)c(OC)c1
InChIInChI=1S/C20H19F3N2O2S/c1-26-14-7-8-15(17(9-14)27-2)18-11-25-19(28-18)12-24-10-13-5-3-4-6-16(13)20(21,22)23/h3-9,11,24H,10,12H2,1-2H3
InChIKeyXQKVPTUADZQTMK-UHFFFAOYSA-N
MW408.45 g/mol
LogP5.14
Rot. Bonds7

About N-[[5-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine

N-[[5-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine (PubChem CID 53271911) has the molecular formula C20H19F3N2O2S and a molecular weight of 408.45 g/mol. Its IUPAC name is N-[[5-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-[[5-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
PubChem CID53271911
Molecular FormulaC20H19F3N2O2S
Molecular Weight408.45 g/mol
Exact Mass408.11
IUPAC NameN-[[5-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
SMILESCOc1ccc(-c2cnc(CNCc3ccccc3C(F)(F)F)s2)c(OC)c1
InChIInChI=1S/C20H19F3N2O2S/c1-26-14-7-8-15(17(9-14)27-2)18-11-25-19(28-18)12-24-10-13-5-3-4-6-16(13)20(21,22)23/h3-9,11,24H,10,12H2,1-2H3
InChIKeyXQKVPTUADZQTMK-UHFFFAOYSA-N
XLogP5.14
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.45
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[5-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine 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-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
CID 53272457
N-[[5-(2-methylphenyl)-1,3-thiazol-2-yl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
CID 53272583
N-[[5-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 53271892
N-[[5-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 53271953
N-[[5-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1-(2-methoxyphenyl)methanamine
CID 53272234
[5-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methanol
CID 53273851
2-(4-chlorophenyl)-N-[[5-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53271931
1-(2-methoxyphenyl)-N-[[5-(2-methylphenyl)-1,3-thiazol-2-yl]methyl]methanamine
CID 53272508
N-[(2-methoxyphenyl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine;hydrobromide
CID 75531292
1-(2-methoxyphenyl)-N-[[5-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]methanamine
CID 53272659
1-(2-methoxyphenyl)-N-[[5-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]methyl]methanamine
CID 53273236
N-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 53272467

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of N-[[5-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine (CID 53271911) is N-[[5-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for N-[[5-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for N-[[5-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine is COc1ccc(-c2cnc(CNCc3ccccc3C(F)(F)F)s2)c(OC)c1.
What is the InChIKey of N-[[5-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine?
The InChIKey is XQKVPTUADZQTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O2S/c1-26-14-7-8-15(17(9-14)27-2)18-11-25-19(28-18)12-24-10-13-5-3-4-6-16(13)20(21,22)23/h3-9,11,24H,10,12H2,1-2H3.
What are the key properties of N-[[5-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine?
N-[[5-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine has a molecular weight of 408.45 g/mol, XLogP of 5.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 53271911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).