N-[2-(4,4-dimethyl-2,3-dihydroquinolin-1-yl)phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine

C21H20F3N3S — CID 11983463

IUPACN-[2-(4,4-dimethyl-2,3-dihydroquinolin-1-yl)phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCC1(C)CCN(c2ccccc2Nc2nc(C(F)(F)F)cs2)c2ccccc21
InChIInChI=1S/C21H20F3N3S/c1-20(2)11-12-27(16-9-5-3-7-14(16)20)17-10-6-4-8-15(17)25-19-26-18(13-28-19)21(22,23)24/h3-10,13H,11-12H2,1-2H3,(H,25,26)
InChIKeyFICUQHCHTCTXEY-UHFFFAOYSA-N
MW403.47 g/mol
LogP6.72
Rot. Bonds3

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

N-[2-(4,4-dimethyl-2,3-dihydroquinolin-1-yl)phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine (PubChem CID 11983463) has the molecular formula C21H20F3N3S and a molecular weight of 403.47 g/mol. Its IUPAC name is N-[2-(4,4-dimethyl-2,3-dihydroquinolin-1-yl)phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-(4,4-dimethyl-2,3-dihydroquinolin-1-yl)phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
PubChem CID11983463
Molecular FormulaC21H20F3N3S
Molecular Weight403.47 g/mol
Exact Mass403.13
IUPAC NameN-[2-(4,4-dimethyl-2,3-dihydroquinolin-1-yl)phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCC1(C)CCN(c2ccccc2Nc2nc(C(F)(F)F)cs2)c2ccccc21
InChIInChI=1S/C21H20F3N3S/c1-20(2)11-12-27(16-9-5-3-7-14(16)20)17-10-6-4-8-15(17)25-19-26-18(13-28-19)21(22,23)24/h3-10,13H,11-12H2,1-2H3,(H,25,26)
InChIKeyFICUQHCHTCTXEY-UHFFFAOYSA-N
XLogP6.72
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.47
LogP ≤ 56.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(4,4-dimethyl-2,3-dihydroquinolin-1-yl)phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine with MolForge

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Related Compounds

4-((diisobutylamino)methyl)-N-(naphthalen-1-yl)thiazol-2-amine
CID 10133595
4-phenyl-N-(4-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)butyl)thiazol-2-amine
CID 11633992
4-(((2-(trifluoromethyl)benzyl)(cyclohexylmethyl)amino)methyl)-N-(naphthalen-1-yl)thiazol-2-amine
CID 44411321
4-((ethylamino)methyl)-N-(naphthalen-1-yl)thiazol-2-amine
CID 44410965
4-((diethylamino)methyl)-N-(naphthalen-1-yl)thiazol-2-amine
CID 44410966
US9120798, Comparator 4
CID 46852866
1-[4-[(Dimethylamino)methyl]-1,3-thiazol-2-yl]-3-(2-phenylphenyl)urea
CID 46942713
1-[4-[1-Amino-2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazol-2-yl]-3-(2-tert-butylphenyl)urea
CID 155564037
1-(2-Fluorophenyl)-4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]piperazine
CID 1263935
1-(4-(2-(4-Fluorophenyl)propan-2-yl)thiazol-2-yl)-3-(4-(piperazin-1-yl)benzyl)urea
CID 171407616
4-methyl-N-phenyl-5-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-1,3-thiazol-2-amine
CID 44209802
4-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)piperazine-1-carboxamide
CID 1438360

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,4-dimethyl-2,3-dihydroquinolin-1-yl)phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-[2-(4,4-dimethyl-2,3-dihydroquinolin-1-yl)phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine (CID 11983463) is N-[2-(4,4-dimethyl-2,3-dihydroquinolin-1-yl)phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-(4,4-dimethyl-2,3-dihydroquinolin-1-yl)phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-(4,4-dimethyl-2,3-dihydroquinolin-1-yl)phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine is CC1(C)CCN(c2ccccc2Nc2nc(C(F)(F)F)cs2)c2ccccc21.
What is the InChIKey of N-[2-(4,4-dimethyl-2,3-dihydroquinolin-1-yl)phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The InChIKey is FICUQHCHTCTXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3S/c1-20(2)11-12-27(16-9-5-3-7-14(16)20)17-10-6-4-8-15(17)25-19-26-18(13-28-19)21(22,23)24/h3-10,13H,11-12H2,1-2H3,(H,25,26).
What are the key properties of N-[2-(4,4-dimethyl-2,3-dihydroquinolin-1-yl)phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine?
N-[2-(4,4-dimethyl-2,3-dihydroquinolin-1-yl)phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine has a molecular weight of 403.47 g/mol, XLogP of 6.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,4-dimethyl-2,3-dihydroquinolin-1-yl)phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 11983463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).