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

C19H17F3N2OS — CID 53272467

IUPACN-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
SMILESCOc1cccc(-c2cnc(CNCc3ccc(C(F)(F)F)cc3)s2)c1
InChIInChI=1S/C19H17F3N2OS/c1-25-16-4-2-3-14(9-16)17-11-24-18(26-17)12-23-10-13-5-7-15(8-6-13)19(20,21)22/h2-9,11,23H,10,12H2,1H3
InChIKeyCWKUBHCDOXETFD-UHFFFAOYSA-N
MW378.42 g/mol
LogP5.13
Rot. Bonds6

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

N-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine (PubChem CID 53272467) has the molecular formula C19H17F3N2OS and a molecular weight of 378.42 g/mol. Its IUPAC name is N-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
PubChem CID53272467
Molecular FormulaC19H17F3N2OS
Molecular Weight378.42 g/mol
Exact Mass378.10
IUPAC NameN-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
SMILESCOc1cccc(-c2cnc(CNCc3ccc(C(F)(F)F)cc3)s2)c1
InChIInChI=1S/C19H17F3N2OS/c1-25-16-4-2-3-14(9-16)17-11-24-18(26-17)12-23-10-13-5-7-15(8-6-13)19(20,21)22/h2-9,11,23H,10,12H2,1H3
InChIKeyCWKUBHCDOXETFD-UHFFFAOYSA-N
XLogP5.13
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.42
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-[4-(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-phenylmethanamine
CID 53272362
N-[[5-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 53271953
N-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
CID 53272457
N-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 53272304
2-(4-fluorophenyl)-N-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53272372
1-[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 46785061
N-[(5-thiophen-3-yl-1,3-thiazol-2-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 53272771
N-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]cyclopentanamine
CID 53272487
2-(2,4-dichlorophenyl)-N-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53272468
2-(4-methoxyphenyl)-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 53271692
N-[[5-(3-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-(4-fluorophenyl)methanamine
CID 53271475
1-(3,4-dichlorophenyl)-N-[[5-(3-methylphenyl)-1,3-thiazol-2-yl]methyl]methanamine
CID 53273083

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of N-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine (CID 53272467) is N-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for N-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for N-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine is COc1cccc(-c2cnc(CNCc3ccc(C(F)(F)F)cc3)s2)c1.
What is the InChIKey of N-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine?
The InChIKey is CWKUBHCDOXETFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2OS/c1-25-16-4-2-3-14(9-16)17-11-24-18(26-17)12-23-10-13-5-7-15(8-6-13)19(20,21)22/h2-9,11,23H,10,12H2,1H3.
What are the key properties of N-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine?
N-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine has a molecular weight of 378.42 g/mol, XLogP of 5.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 53272467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).