[2-methyl-4-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propoxy]phenyl]methanimine

C22H21F3N2OS — CID 162604993

IUPAC[2-methyl-4-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propoxy]phenyl]methanimine
SMILES[H]/N=C/c1ccc(OC(CC)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)cc1C
InChIInChI=1S/C22H21F3N2OS/c1-4-19(28-18-10-7-16(12-26)13(2)11-18)20-14(3)27-21(29-20)15-5-8-17(9-6-15)22(23,24)25/h5-12,19,26H,4H2,1-3H3/b26-12+
InChIKeyCPOMQLSRRPTTNI-RPPGKUMJSA-N
MW418.48 g/mol
LogP6.97
Rot. Bonds6

About [2-methyl-4-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propoxy]phenyl]methanimine

[2-methyl-4-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propoxy]phenyl]methanimine (PubChem CID 162604993) has the molecular formula C22H21F3N2OS and a molecular weight of 418.48 g/mol. Its IUPAC name is [2-methyl-4-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propoxy]phenyl]methanimine.

Molecular Properties

Compound Name[2-methyl-4-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propoxy]phenyl]methanimine
PubChem CID162604993
Molecular FormulaC22H21F3N2OS
Molecular Weight418.48 g/mol
Exact Mass418.13
IUPAC Name[2-methyl-4-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propoxy]phenyl]methanimine
SMILES[H]/N=C/c1ccc(OC(CC)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)cc1C
InChIInChI=1S/C22H21F3N2OS/c1-4-19(28-18-10-7-16(12-26)13(2)11-18)20-14(3)27-21(29-20)15-5-8-17(9-6-15)22(23,24)25/h5-12,19,26H,4H2,1-3H3/b26-12+
InChIKeyCPOMQLSRRPTTNI-RPPGKUMJSA-N
XLogP6.97
TPSA45.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.48
LogP ≤ 56.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze [2-methyl-4-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propoxy]phenyl]methanimine 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

5-[1-(3-chlorophenoxy)propyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 141167706
2-methyl-2-[2-methyl-4-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propoxy]phenoxy]propanoic acid
CID 10228377
ethyl 2-methyl-2-[2-methyl-4-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]but-3-enoxy]phenoxy]propanoate
CID 10302124
1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propyl 2-phenylpropanoate
CID 21051239
3-[2-methyl-4-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethoxy]phenyl]propanoic acid
CID 10127507
2-[[4-[cyclopropyl-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-2-methylphenyl]methyl]butanoic acid
CID 22647587
(E)-4-[2-methyl-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]phenyl]but-3-en-2-one
CID 20720987
1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanol
CID 22647631
(1R)-1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanol
CID 58697769
ethyl 2-methyl-2-[2-methyl-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]-phenylmethoxy]phenoxy]propanoate
CID 10281453
3-[4-[cyclopropyl-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]-2-methylphenyl]-2-ethoxypropanoic acid
CID 22647470
methyl (2S)-2-ethoxy-3-[2-ethyl-4-[(1R)-1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethoxy]phenyl]propanoate
CID 68616442

Frequently Asked Questions

What is the IUPAC name of [2-methyl-4-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propoxy]phenyl]methanimine?
The IUPAC name of [2-methyl-4-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propoxy]phenyl]methanimine (CID 162604993) is [2-methyl-4-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propoxy]phenyl]methanimine.
What is the SMILES notation for [2-methyl-4-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propoxy]phenyl]methanimine?
The canonical SMILES for [2-methyl-4-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propoxy]phenyl]methanimine is [H]/N=C/c1ccc(OC(CC)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)cc1C.
What is the InChIKey of [2-methyl-4-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propoxy]phenyl]methanimine?
The InChIKey is CPOMQLSRRPTTNI-RPPGKUMJSA-N. The full InChI is InChI=1S/C22H21F3N2OS/c1-4-19(28-18-10-7-16(12-26)13(2)11-18)20-14(3)27-21(29-20)15-5-8-17(9-6-15)22(23,24)25/h5-12,19,26H,4H2,1-3H3/b26-12+.
What are the key properties of [2-methyl-4-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propoxy]phenyl]methanimine?
[2-methyl-4-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propoxy]phenyl]methanimine has a molecular weight of 418.48 g/mol, XLogP of 6.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-4-[1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propoxy]phenyl]methanimine is sourced from PubChem (CID 162604993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).