5-[[(2R)-2-methylpiperidin-1-yl]methyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine

C18H22F3N3S — CID 129016513

IUPAC5-[[(2R)-2-methylpiperidin-1-yl]methyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESCc1cc(-c2nc(N)sc2CN2CCCC[C@H]2C)cc(C(F)(F)F)c1
InChIInChI=1S/C18H22F3N3S/c1-11-7-13(9-14(8-11)18(19,20)21)16-15(25-17(22)23-16)10-24-6-4-3-5-12(24)2/h7-9,12H,3-6,10H2,1-2H3,(H2,22,23)/t12-/m1/s1
InChIKeyPJYFCVLIYSTZJD-GFCCVEGCSA-N
MW369.46 g/mol
LogP5.09
Rot. Bonds3

About 5-[[(2R)-2-methylpiperidin-1-yl]methyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine

5-[[(2R)-2-methylpiperidin-1-yl]methyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (PubChem CID 129016513) has the molecular formula C18H22F3N3S and a molecular weight of 369.46 g/mol. Its IUPAC name is 5-[[(2R)-2-methylpiperidin-1-yl]methyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[(2R)-2-methylpiperidin-1-yl]methyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
PubChem CID129016513
Molecular FormulaC18H22F3N3S
Molecular Weight369.46 g/mol
Exact Mass369.15
IUPAC Name5-[[(2R)-2-methylpiperidin-1-yl]methyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESCc1cc(-c2nc(N)sc2CN2CCCC[C@H]2C)cc(C(F)(F)F)c1
InChIInChI=1S/C18H22F3N3S/c1-11-7-13(9-14(8-11)18(19,20)21)16-15(25-17(22)23-16)10-24-6-4-3-5-12(24)2/h7-9,12H,3-6,10H2,1-2H3,(H2,22,23)/t12-/m1/s1
InChIKeyPJYFCVLIYSTZJD-GFCCVEGCSA-N
XLogP5.09
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.46
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 118636375
5-[(2-methylpiperidin-1-yl)methyl]-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 138638550
4-(3,5-dichloro-4-methylphenyl)-5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 130211597
5-[(2-ethylpyrrolidin-1-yl)methyl]-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 129016603
5-[[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]methyl]-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 126741263
5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-4-[4-propoxy-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 129016408
1-[5-[[5-[(2-methylpyrrolidin-1-yl)methyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]-1,2-dihydropyrazin-2-yl]piperidine-4-carboxylic acid
CID 144691561
4-(3-chloro-5-fluoro-4-methoxyphenyl)-5-[(2-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 129016508
N-(6-chloropyrimidin-4-yl)-4-[3-chloro-5-(trifluoromethyl)phenyl]-5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 131999345
N-(6-chloro-5-fluoro-2-methylpyrimidin-4-yl)-4-[3-fluoro-5-(trifluoromethyl)phenyl]-5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 130234335
N-[5-[(2-methylpiperidin-1-yl)methyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-5-[4-(3-oxopropyl)piperazin-1-yl]pyrazine-2-carboxamide
CID 138638850
N-[5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 129016624

Frequently Asked Questions

What is the IUPAC name of 5-[[(2R)-2-methylpiperidin-1-yl]methyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[[(2R)-2-methylpiperidin-1-yl]methyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (CID 129016513) is 5-[[(2R)-2-methylpiperidin-1-yl]methyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[(2R)-2-methylpiperidin-1-yl]methyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[(2R)-2-methylpiperidin-1-yl]methyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is Cc1cc(-c2nc(N)sc2CN2CCCC[C@H]2C)cc(C(F)(F)F)c1.
What is the InChIKey of 5-[[(2R)-2-methylpiperidin-1-yl]methyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The InChIKey is PJYFCVLIYSTZJD-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H22F3N3S/c1-11-7-13(9-14(8-11)18(19,20)21)16-15(25-17(22)23-16)10-24-6-4-3-5-12(24)2/h7-9,12H,3-6,10H2,1-2H3,(H2,22,23)/t12-/m1/s1.
What are the key properties of 5-[[(2R)-2-methylpiperidin-1-yl]methyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
5-[[(2R)-2-methylpiperidin-1-yl]methyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine has a molecular weight of 369.46 g/mol, XLogP of 5.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2R)-2-methylpiperidin-1-yl]methyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 129016513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).