N-[2-(3,5-dimethylphenyl)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1,3-thiazol-2-amine

C20H20F4N2S — CID 59223269

IUPACN-[2-(3,5-dimethylphenyl)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1cc(C)cc(CC(NC2=NCCS2)c2cccc(C(F)(F)F)c2F)c1
InChIInChI=1S/C20H20F4N2S/c1-12-8-13(2)10-14(9-12)11-17(26-19-25-6-7-27-19)15-4-3-5-16(18(15)21)20(22,23)24/h3-5,8-10,17H,6-7,11H2,1-2H3,(H,25,26)
InChIKeyDHQWDIBVWYBCJP-UHFFFAOYSA-N
MW396.45 g/mol
LogP5.44
Rot. Bonds4

About N-[2-(3,5-dimethylphenyl)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1,3-thiazol-2-amine

N-[2-(3,5-dimethylphenyl)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 59223269) has the molecular formula C20H20F4N2S and a molecular weight of 396.45 g/mol. Its IUPAC name is N-[2-(3,5-dimethylphenyl)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-(3,5-dimethylphenyl)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID59223269
Molecular FormulaC20H20F4N2S
Molecular Weight396.45 g/mol
Exact Mass396.13
IUPAC NameN-[2-(3,5-dimethylphenyl)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1cc(C)cc(CC(NC2=NCCS2)c2cccc(C(F)(F)F)c2F)c1
InChIInChI=1S/C20H20F4N2S/c1-12-8-13(2)10-14(9-12)11-17(26-19-25-6-7-27-19)15-4-3-5-16(18(15)21)20(22,23)24/h3-5,8-10,17H,6-7,11H2,1-2H3,(H,25,26)
InChIKeyDHQWDIBVWYBCJP-UHFFFAOYSA-N
XLogP5.44
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.45
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4s,6r)-4-[2,4-Difluoro-5-({[1-(Trifluoromethyl)cyclopropyl]amino}methyl)phenyl]-4,6-Dimethyl-5,6-Dihydro-4h-1,3-Thiazin-2-Amine
CID 123132915
(4s)-4-[2,4-Difluoro-5-({[1-(Trifluoromethyl)cyclopropyl]amino}methyl)phenyl]-4-Methyl-5,6-Dihydro-4h-1,3-Thiazin-2-Amine
CID 123132907
N-(4-fluorobenzyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 2997276
5-methyl-N-(1-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 2997387
(4R,5S)-2-[(3-fluorophenyl)methylsulfanyl]-4,5-diphenyl-4,5-dihydro-1H-imidazole
CID 45273183
N-(1-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 3856622
(4S)-4-[5-[(2,2-difluoroethylamino)methyl]-2,4-difluorophenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 137633017
(4S)-4-[5-[[[1-(difluoromethyl)cyclopropyl]amino]methyl]-2,4-difluorophenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 137634377
(4S)-4-[2,4-difluoro-5-[[[(2R)-1,1,1-trifluoropropan-2-yl]amino]methyl]phenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 137635011
(4S)-4-[5-[(cyclopropylmethylamino)methyl]-2,4-difluorophenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 137637375
(4S)-4-[5-(ethylaminomethyl)-2,4-difluorophenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 137637780
(4S)-4-[5-[(cyclopropylamino)methyl]-2,4-difluorophenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 137641491

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylphenyl)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-[2-(3,5-dimethylphenyl)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 59223269) is N-[2-(3,5-dimethylphenyl)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-(3,5-dimethylphenyl)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-(3,5-dimethylphenyl)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1,3-thiazol-2-amine is Cc1cc(C)cc(CC(NC2=NCCS2)c2cccc(C(F)(F)F)c2F)c1.
What is the InChIKey of N-[2-(3,5-dimethylphenyl)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is DHQWDIBVWYBCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F4N2S/c1-12-8-13(2)10-14(9-12)11-17(26-19-25-6-7-27-19)15-4-3-5-16(18(15)21)20(22,23)24/h3-5,8-10,17H,6-7,11H2,1-2H3,(H,25,26).
What are the key properties of N-[2-(3,5-dimethylphenyl)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
N-[2-(3,5-dimethylphenyl)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 396.45 g/mol, XLogP of 5.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylphenyl)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 59223269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).