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

C24H19F3N2S — CID 53272600

IUPACN-[[5-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
SMILESFC(F)(F)c1cccc(CNCc2ncc(-c3ccc(-c4ccccc4)cc3)s2)c1
InChIInChI=1S/C24H19F3N2S/c25-24(26,27)21-8-4-5-17(13-21)14-28-16-23-29-15-22(30-23)20-11-9-19(10-12-20)18-6-2-1-3-7-18/h1-13,15,28H,14,16H2
InChIKeyPLAYWVKKBAKSOL-UHFFFAOYSA-N
MW424.49 g/mol
LogP6.79
Rot. Bonds6

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

N-[[5-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]-1-[3-(trifluoromethyl)phenyl]methanamine (PubChem CID 53272600) has the molecular formula C24H19F3N2S and a molecular weight of 424.49 g/mol. Its IUPAC name is N-[[5-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]-1-[3-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-[[5-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
PubChem CID53272600
Molecular FormulaC24H19F3N2S
Molecular Weight424.49 g/mol
Exact Mass424.12
IUPAC NameN-[[5-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
SMILESFC(F)(F)c1cccc(CNCc2ncc(-c3ccc(-c4ccccc4)cc3)s2)c1
InChIInChI=1S/C24H19F3N2S/c25-24(26,27)21-8-4-5-17(13-21)14-28-16-23-29-15-22(30-23)20-11-9-19(10-12-20)18-6-2-1-3-7-18/h1-13,15,28H,14,16H2
InChIKeyPLAYWVKKBAKSOL-UHFFFAOYSA-N
XLogP6.79
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.49
LogP ≤ 56.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 53272304
N-[[5-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-phenylmethanamine
CID 53271626
N-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 53272467
N-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-phenylmethanamine
CID 53272362
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 60981806
[5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methanol
CID 66939465
1-(3,4-dichlorophenyl)-N-[[5-(3-methylphenyl)-1,3-thiazol-2-yl]methyl]methanamine
CID 53273083
N-[(5-thiophen-3-yl-1,3-thiazol-2-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 53272771
1-(2-fluorophenyl)-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]methanamine
CID 53271560
N-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-(4-fluorophenyl)methanamine
CID 53271475
1-(2-methoxyphenyl)-N-[[5-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]methanamine
CID 53272659
N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 10658372

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]-1-[3-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of N-[[5-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]-1-[3-(trifluoromethyl)phenyl]methanamine (CID 53272600) is N-[[5-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]-1-[3-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for N-[[5-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]-1-[3-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for N-[[5-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]-1-[3-(trifluoromethyl)phenyl]methanamine is FC(F)(F)c1cccc(CNCc2ncc(-c3ccc(-c4ccccc4)cc3)s2)c1.
What is the InChIKey of N-[[5-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]-1-[3-(trifluoromethyl)phenyl]methanamine?
The InChIKey is PLAYWVKKBAKSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N2S/c25-24(26,27)21-8-4-5-17(13-21)14-28-16-23-29-15-22(30-23)20-11-9-19(10-12-20)18-6-2-1-3-7-18/h1-13,15,28H,14,16H2.
What are the key properties of N-[[5-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]-1-[3-(trifluoromethyl)phenyl]methanamine?
N-[[5-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]-1-[3-(trifluoromethyl)phenyl]methanamine has a molecular weight of 424.49 g/mol, XLogP of 6.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]-1-[3-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 53272600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).