N,3-dimethyl-N-[1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethyl]aniline

C20H19F3N2S — CID 141103753

IUPACN,3-dimethyl-N-[1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethyl]aniline
SMILESCc1cccc(N(C)C(C)c2cnc(-c3ccc(C(F)(F)F)cc3)s2)c1
InChIInChI=1S/C20H19F3N2S/c1-13-5-4-6-17(11-13)25(3)14(2)18-12-24-19(26-18)15-7-9-16(10-8-15)20(21,22)23/h4-12,14H,1-3H3
InChIKeyQPLSVMVRPGQNNG-UHFFFAOYSA-N
MW376.45 g/mol
LogP6.33
Rot. Bonds4

About N,3-dimethyl-N-[1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethyl]aniline

N,3-dimethyl-N-[1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethyl]aniline (PubChem CID 141103753) has the molecular formula C20H19F3N2S and a molecular weight of 376.45 g/mol. Its IUPAC name is N,3-dimethyl-N-[1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethyl]aniline.

Molecular Properties

Compound NameN,3-dimethyl-N-[1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethyl]aniline
PubChem CID141103753
Molecular FormulaC20H19F3N2S
Molecular Weight376.45 g/mol
Exact Mass376.12
IUPAC NameN,3-dimethyl-N-[1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethyl]aniline
SMILESCc1cccc(N(C)C(C)c2cnc(-c3ccc(C(F)(F)F)cc3)s2)c1
InChIInChI=1S/C20H19F3N2S/c1-13-5-4-6-17(11-13)25(3)14(2)18-12-24-19(26-18)15-7-9-16(10-8-15)20(21,22)23/h4-12,14H,1-3H3
InChIKeyQPLSVMVRPGQNNG-UHFFFAOYSA-N
XLogP6.33
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.45
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-bis[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]pentan-3-one
CID 152700854
5-propan-2-yl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole
CID 113415724
1-[2-(3-methylphenyl)-1,3-thiazol-5-yl]ethanol
CID 62651210
3-methyl-N-propan-2-yl-N-[4-(trifluoromethyl)phenyl]aniline
CID 59307958
1-[2-(4-methylphenyl)-1,3-thiazol-5-yl]ethanol
CID 62651208
1,1,1-trifluoro-3-[3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]anilino]propan-2-ol
CID 24886784
2-[1-(N,3-dimethylanilino)ethyl]benzene-1,3-diol
CID 107711796
6-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazole
CID 126550023
2-(2,6-dimethyl-4-pyridinyl)-5-propan-2-yl-1,3-thiazole
CID 107504782
5-[1-(N,3-dimethylanilino)ethyl]benzene-1,3-diol
CID 107707977
1-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanol
CID 152502733
2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxylic acid
CID 43333581

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-[1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethyl]aniline?
The IUPAC name of N,3-dimethyl-N-[1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethyl]aniline (CID 141103753) is N,3-dimethyl-N-[1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethyl]aniline.
What is the SMILES notation for N,3-dimethyl-N-[1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethyl]aniline?
The canonical SMILES for N,3-dimethyl-N-[1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethyl]aniline is Cc1cccc(N(C)C(C)c2cnc(-c3ccc(C(F)(F)F)cc3)s2)c1.
What is the InChIKey of N,3-dimethyl-N-[1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethyl]aniline?
The InChIKey is QPLSVMVRPGQNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2S/c1-13-5-4-6-17(11-13)25(3)14(2)18-12-24-19(26-18)15-7-9-16(10-8-15)20(21,22)23/h4-12,14H,1-3H3.
What are the key properties of N,3-dimethyl-N-[1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethyl]aniline?
N,3-dimethyl-N-[1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethyl]aniline has a molecular weight of 376.45 g/mol, XLogP of 6.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-[1-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethyl]aniline is sourced from PubChem (CID 141103753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).