N-(2-phenylethyl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine

C18H15F3N2S — CID 23143279

IUPACN-(2-phenylethyl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESFC(F)(F)c1ccc(-c2csc(NCCc3ccccc3)n2)cc1
InChIInChI=1S/C18H15F3N2S/c19-18(20,21)15-8-6-14(7-9-15)16-12-24-17(23-16)22-11-10-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,22,23)
InChIKeyKEYUKKKABXZVBI-UHFFFAOYSA-N
MW348.39 g/mol
LogP5.48
Rot. Bonds5

About N-(2-phenylethyl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine

N-(2-phenylethyl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (PubChem CID 23143279) has the molecular formula C18H15F3N2S and a molecular weight of 348.39 g/mol. Its IUPAC name is N-(2-phenylethyl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-phenylethyl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
PubChem CID23143279
Molecular FormulaC18H15F3N2S
Molecular Weight348.39 g/mol
Exact Mass348.09
IUPAC NameN-(2-phenylethyl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESFC(F)(F)c1ccc(-c2csc(NCCc3ccccc3)n2)cc1
InChIInChI=1S/C18H15F3N2S/c19-18(20,21)15-8-6-14(7-9-15)16-12-24-17(23-16)22-11-10-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,22,23)
InChIKeyKEYUKKKABXZVBI-UHFFFAOYSA-N
XLogP5.48
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.39
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-phenylethyl)-4-[4-(trifluoromethyl)phenyl]-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

4-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]benzene-1,2-diol
CID 892965
N-(2-phenylethyl)-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine
CID 58910960
4-[4-(4-methylpiperazin-1-yl)phenyl]-N-(2-phenylethyl)-1,3-thiazol-2-amine
CID 58910616
N-[(2R)-4-[4-[2-(2-phenylethylamino)-1,3-thiazol-4-yl]phenyl]butan-2-yl]acetamide
CID 8750316
N-(2-phenylethyl)-4-[4-[3-[2-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]ethyl]phenyl]phenyl]-1,3-thiazol-2-amine
CID 134241887
4-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]-1,3-thiazol-2-amine
CID 12790440
2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethanol
CID 15573942
4-[4-(1,1-difluoroethyl)phenyl]-N-(3-methylbutyl)-1,3-thiazol-2-amine
CID 143103874
N-(2-phenylethyl)-6-(trifluoromethyl)-1,3-benzothiazol-2-amine
CID 82549328
4-(2,4-dichlorophenyl)-N-(2-phenylethyl)-1,3-thiazol-2-amine
CID 2470553
1-(2-phenylethyl)-3-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]urea
CID 121080438
N-(2-benzylsulfinylethyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 133372575

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of N-(2-phenylethyl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (CID 23143279) is N-(2-phenylethyl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-phenylethyl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-phenylethyl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is FC(F)(F)c1ccc(-c2csc(NCCc3ccccc3)n2)cc1.
What is the InChIKey of N-(2-phenylethyl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The InChIKey is KEYUKKKABXZVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2S/c19-18(20,21)15-8-6-14(7-9-15)16-12-24-17(23-16)22-11-10-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,22,23).
What are the key properties of N-(2-phenylethyl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
N-(2-phenylethyl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine has a molecular weight of 348.39 g/mol, XLogP of 5.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 23143279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).