5-(2-chloro-3-phenylprop-2-enylidene)-N-[[4-(trifluoromethyl)phenyl]methyl]-4H-1,3-thiazol-2-amine

C20H16ClF3N2S — CID 90722391

IUPAC5-(2-chloro-3-phenylprop-2-enylidene)-N-[[4-(trifluoromethyl)phenyl]methyl]-4H-1,3-thiazol-2-amine
SMILESFC(F)(F)c1ccc(CNC2=NCC(=CC(Cl)=Cc3ccccc3)S2)cc1
InChIInChI=1S/C20H16ClF3N2S/c21-17(10-14-4-2-1-3-5-14)11-18-13-26-19(27-18)25-12-15-6-8-16(9-7-15)20(22,23)24/h1-11H,12-13H2,(H,25,26)
InChIKeyCKIUFNWHVBLMLM-UHFFFAOYSA-N
MW408.88 g/mol
LogP6.06
Rot. Bonds4

About 5-(2-chloro-3-phenylprop-2-enylidene)-N-[[4-(trifluoromethyl)phenyl]methyl]-4H-1,3-thiazol-2-amine

5-(2-chloro-3-phenylprop-2-enylidene)-N-[[4-(trifluoromethyl)phenyl]methyl]-4H-1,3-thiazol-2-amine (PubChem CID 90722391) has the molecular formula C20H16ClF3N2S and a molecular weight of 408.88 g/mol. Its IUPAC name is 5-(2-chloro-3-phenylprop-2-enylidene)-N-[[4-(trifluoromethyl)phenyl]methyl]-4H-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(2-chloro-3-phenylprop-2-enylidene)-N-[[4-(trifluoromethyl)phenyl]methyl]-4H-1,3-thiazol-2-amine
PubChem CID90722391
Molecular FormulaC20H16ClF3N2S
Molecular Weight408.88 g/mol
Exact Mass408.07
IUPAC Name5-(2-chloro-3-phenylprop-2-enylidene)-N-[[4-(trifluoromethyl)phenyl]methyl]-4H-1,3-thiazol-2-amine
SMILESFC(F)(F)c1ccc(CNC2=NCC(=CC(Cl)=Cc3ccccc3)S2)cc1
InChIInChI=1S/C20H16ClF3N2S/c21-17(10-14-4-2-1-3-5-14)11-18-13-26-19(27-18)25-12-15-6-8-16(9-7-15)20(22,23)24/h1-11H,12-13H2,(H,25,26)
InChIKeyCKIUFNWHVBLMLM-UHFFFAOYSA-N
XLogP6.06
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.88
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(2-chloro-3-phenylprop-2-enylidene)-N-[[4-(trifluoromethyl)phenyl]methyl]-4H-1,3-thiazol-2-amine with MolForge

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Related Compounds

4,5-Dihydro-N-((4-methylphenyl)methyl)-2-thiazolamine
CID 2737945
Pseudourea, 1,3-dibenzyl-2-methyl-2-thio-, hydriodide
CID 203825
2-Thiazoline, 2-((m-trifluoromethylbenzyl)amino)-
CID 3055294
N-benzyl-5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-amine
CID 2997253
Pseudourea, 1,3-dibenzyl-2-ethyl-2-thio-, hydrobromide
CID 203314
N-[(4-fluorophenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 2733074
S-methyl-N,N'-dibenzylisothiourea
CID 203826
4,5-Dihydro-N-(2,2,2-trifluoro-1-phenylethyl)-2-thiazolamine
CID 54168734
(4S,5R)-4,5-diphenyl-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydro-1H-imidazole
CID 59655404
(4R,5S)-4,5-diphenyl-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydro-1H-imidazole;hydrochloride
CID 68568452
(4R,5S)-4,5-diphenyl-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydro-1H-imidazole
CID 68568453
4,5-diphenyl-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydro-1H-imidazole;hydrochloride
CID 68568455

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-3-phenylprop-2-enylidene)-N-[[4-(trifluoromethyl)phenyl]methyl]-4H-1,3-thiazol-2-amine?
The IUPAC name of 5-(2-chloro-3-phenylprop-2-enylidene)-N-[[4-(trifluoromethyl)phenyl]methyl]-4H-1,3-thiazol-2-amine (CID 90722391) is 5-(2-chloro-3-phenylprop-2-enylidene)-N-[[4-(trifluoromethyl)phenyl]methyl]-4H-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(2-chloro-3-phenylprop-2-enylidene)-N-[[4-(trifluoromethyl)phenyl]methyl]-4H-1,3-thiazol-2-amine?
The canonical SMILES for 5-(2-chloro-3-phenylprop-2-enylidene)-N-[[4-(trifluoromethyl)phenyl]methyl]-4H-1,3-thiazol-2-amine is FC(F)(F)c1ccc(CNC2=NCC(=CC(Cl)=Cc3ccccc3)S2)cc1.
What is the InChIKey of 5-(2-chloro-3-phenylprop-2-enylidene)-N-[[4-(trifluoromethyl)phenyl]methyl]-4H-1,3-thiazol-2-amine?
The InChIKey is CKIUFNWHVBLMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClF3N2S/c21-17(10-14-4-2-1-3-5-14)11-18-13-26-19(27-18)25-12-15-6-8-16(9-7-15)20(22,23)24/h1-11H,12-13H2,(H,25,26).
What are the key properties of 5-(2-chloro-3-phenylprop-2-enylidene)-N-[[4-(trifluoromethyl)phenyl]methyl]-4H-1,3-thiazol-2-amine?
5-(2-chloro-3-phenylprop-2-enylidene)-N-[[4-(trifluoromethyl)phenyl]methyl]-4H-1,3-thiazol-2-amine has a molecular weight of 408.88 g/mol, XLogP of 6.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-3-phenylprop-2-enylidene)-N-[[4-(trifluoromethyl)phenyl]methyl]-4H-1,3-thiazol-2-amine is sourced from PubChem (CID 90722391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).