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

C20H19F3N2O2S — CID 53271953

IUPACN-[[5-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
SMILESCOc1ccc(OC)c(-c2cnc(CNCc3ccc(C(F)(F)F)cc3)s2)c1
InChIInChI=1S/C20H19F3N2O2S/c1-26-15-7-8-17(27-2)16(9-15)18-11-25-19(28-18)12-24-10-13-3-5-14(6-4-13)20(21,22)23/h3-9,11,24H,10,12H2,1-2H3
InChIKeyHKAKFINOYAOVLP-UHFFFAOYSA-N
MW408.45 g/mol
LogP5.14
Rot. Bonds7

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

N-[[5-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine (PubChem CID 53271953) has the molecular formula C20H19F3N2O2S and a molecular weight of 408.45 g/mol. Its IUPAC name is N-[[5-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-[[5-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
PubChem CID53271953
Molecular FormulaC20H19F3N2O2S
Molecular Weight408.45 g/mol
Exact Mass408.11
IUPAC NameN-[[5-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
SMILESCOc1ccc(OC)c(-c2cnc(CNCc3ccc(C(F)(F)F)cc3)s2)c1
InChIInChI=1S/C20H19F3N2O2S/c1-26-15-7-8-17(27-2)16(9-15)18-11-25-19(28-18)12-24-10-13-3-5-14(6-4-13)20(21,22)23/h3-9,11,24H,10,12H2,1-2H3
InChIKeyHKAKFINOYAOVLP-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

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Related Compounds

N-[[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 53272467
1-(3,4-dimethoxyphenyl)-N-[[5-(2,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]methyl]methanamine
CID 53273140
N-[[5-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 53271922
N-[[5-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
CID 53271911
2-(3-chlorophenyl)-N-[[5-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53271932
N-[[5-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]-2-pyridin-2-ylethanamine
CID 53271885
N-[[5-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 53272304
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]-1-phenylmethanamine
CID 53272362
2-(4-chlorophenyl)-N-[[5-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 53271931
1-(3,4-dichlorophenyl)-N-[[5-(2,3,4-trimethoxyphenyl)-1,3-thiazol-2-yl]methyl]methanamine
CID 53273171
5-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine
CID 114600577

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of N-[[5-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine (CID 53271953) is N-[[5-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for N-[[5-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for N-[[5-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine is COc1ccc(OC)c(-c2cnc(CNCc3ccc(C(F)(F)F)cc3)s2)c1.
What is the InChIKey of N-[[5-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine?
The InChIKey is HKAKFINOYAOVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O2S/c1-26-15-7-8-17(27-2)16(9-15)18-11-25-19(28-18)12-24-10-13-3-5-14(6-4-13)20(21,22)23/h3-9,11,24H,10,12H2,1-2H3.
What are the key properties of N-[[5-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine?
N-[[5-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-[4-(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-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 53271953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).