N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine

C20H18F3N3S — CID 110533144

IUPACN-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine
SMILESCc1cc(C)c(-c2csc(N/N=C\c3ccccc3C(F)(F)F)n2)c(C)c1
InChIInChI=1S/C20H18F3N3S/c1-12-8-13(2)18(14(3)9-12)17-11-27-19(25-17)26-24-10-15-6-4-5-7-16(15)20(21,22)23/h4-11H,1-3H3,(H,25,26)/b24-10-
InChIKeyLGPZCFDRCXKDHH-VROXFSQNSA-N
MW389.45 g/mol
LogP6.20
Rot. Bonds4

About N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine

N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine (PubChem CID 110533144) has the molecular formula C20H18F3N3S and a molecular weight of 389.45 g/mol. Its IUPAC name is N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine
PubChem CID110533144
Molecular FormulaC20H18F3N3S
Molecular Weight389.45 g/mol
Exact Mass389.12
IUPAC NameN-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine
SMILESCc1cc(C)c(-c2csc(N/N=C\c3ccccc3C(F)(F)F)n2)c(C)c1
InChIInChI=1S/C20H18F3N3S/c1-12-8-13(2)18(14(3)9-12)17-11-27-19(25-17)26-24-10-15-6-4-5-7-16(15)20(21,22)23/h4-11H,1-3H3,(H,25,26)/b24-10-
InChIKeyLGPZCFDRCXKDHH-VROXFSQNSA-N
XLogP6.20
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.45
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine 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-[(Z)-(2-bromophenyl)methylideneamino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine
CID 110532425
N-[[2-fluoro-5-methyl-3-(trifluoromethyl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168578202
3-[(Z)-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 110536669
4-[(Z)-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]benzoic acid
CID 110534753
N-[(Z)-(3-methoxyphenyl)methylideneamino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine
CID 110535752
4-(4-fluorophenyl)-N-[(Z)-(2-methylphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 42459700
3,4-dimethyl-N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 110504935
N-[(Z)-(3-propoxyphenyl)methylideneamino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine
CID 110533759
N-[(Z)-[4-(2-methylpropoxy)phenyl]methylideneamino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine
CID 110532880
3-methyl-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 9060609
N-[[3-fluoro-2-methoxy-4-(trifluoromethyl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168578030
N-[[6-bromo-2-fluoro-3-(trifluoromethyl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168578213

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine (CID 110533144) is N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine is Cc1cc(C)c(-c2csc(N/N=C\c3ccccc3C(F)(F)F)n2)c(C)c1.
What is the InChIKey of N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine?
The InChIKey is LGPZCFDRCXKDHH-VROXFSQNSA-N. The full InChI is InChI=1S/C20H18F3N3S/c1-12-8-13(2)18(14(3)9-12)17-11-27-19(25-17)26-24-10-15-6-4-5-7-16(15)20(21,22)23/h4-11H,1-3H3,(H,25,26)/b24-10-.
What are the key properties of N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine?
N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine has a molecular weight of 389.45 g/mol, XLogP of 6.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 110533144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).