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

C21H23F3N2S — CID 59223257

IUPACN-[2-(3,5-dimethylphenyl)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1cc(C)cc(CC(NC2=NCCS2)c2cccc(C(F)(F)F)c2C)c1
InChIInChI=1S/C21H23F3N2S/c1-13-9-14(2)11-16(10-13)12-19(26-20-25-7-8-27-20)17-5-4-6-18(15(17)3)21(22,23)24/h4-6,9-11,19H,7-8,12H2,1-3H3,(H,25,26)
InChIKeyYZAFSTLKXXXCKH-UHFFFAOYSA-N
MW392.49 g/mol
LogP5.61
Rot. Bonds4

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

N-[2-(3,5-dimethylphenyl)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 59223257) has the molecular formula C21H23F3N2S and a molecular weight of 392.49 g/mol. Its IUPAC name is N-[2-(3,5-dimethylphenyl)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-(3,5-dimethylphenyl)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID59223257
Molecular FormulaC21H23F3N2S
Molecular Weight392.49 g/mol
Exact Mass392.15
IUPAC NameN-[2-(3,5-dimethylphenyl)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1cc(C)cc(CC(NC2=NCCS2)c2cccc(C(F)(F)F)c2C)c1
InChIInChI=1S/C21H23F3N2S/c1-13-9-14(2)11-16(10-13)12-19(26-20-25-7-8-27-20)17-5-4-6-18(15(17)3)21(22,23)24/h4-6,9-11,19H,7-8,12H2,1-3H3,(H,25,26)
InChIKeyYZAFSTLKXXXCKH-UHFFFAOYSA-N
XLogP5.61
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.49
LogP ≤ 55.61
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
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
(4S)-4-[2,4-difluoro-5-[(2,2,2-trifluoroethylamino)methyl]phenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 137643369

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylphenyl)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-[2-(3,5-dimethylphenyl)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 59223257) is N-[2-(3,5-dimethylphenyl)-1-[2-methyl-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-methyl-3-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-(3,5-dimethylphenyl)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1,3-thiazol-2-amine is Cc1cc(C)cc(CC(NC2=NCCS2)c2cccc(C(F)(F)F)c2C)c1.
What is the InChIKey of N-[2-(3,5-dimethylphenyl)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is YZAFSTLKXXXCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N2S/c1-13-9-14(2)11-16(10-13)12-19(26-20-25-7-8-27-20)17-5-4-6-18(15(17)3)21(22,23)24/h4-6,9-11,19H,7-8,12H2,1-3H3,(H,25,26).
What are the key properties of N-[2-(3,5-dimethylphenyl)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1,3-thiazol-2-amine?
N-[2-(3,5-dimethylphenyl)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 392.49 g/mol, XLogP of 5.61, 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-methyl-3-(trifluoromethyl)phenyl]ethyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 59223257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).