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

C17H20F3N3S — CID 118636375

IUPAC5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESCc1cc(-c2nc(N)sc2CN2CCC[C@H]2C)cc(C(F)(F)F)c1
InChIInChI=1S/C17H20F3N3S/c1-10-6-12(8-13(7-10)17(18,19)20)15-14(24-16(21)22-15)9-23-5-3-4-11(23)2/h6-8,11H,3-5,9H2,1-2H3,(H2,21,22)/t11-/m1/s1
InChIKeyZFOOULFSKMNSDU-LLVKDONJSA-N
MW355.43 g/mol
LogP4.70
Rot. Bonds3

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

5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (PubChem CID 118636375) has the molecular formula C17H20F3N3S and a molecular weight of 355.43 g/mol. Its IUPAC name is 5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
PubChem CID118636375
Molecular FormulaC17H20F3N3S
Molecular Weight355.43 g/mol
Exact Mass355.13
IUPAC Name5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESCc1cc(-c2nc(N)sc2CN2CCC[C@H]2C)cc(C(F)(F)F)c1
InChIInChI=1S/C17H20F3N3S/c1-10-6-12(8-13(7-10)17(18,19)20)15-14(24-16(21)22-15)9-23-5-3-4-11(23)2/h6-8,11H,3-5,9H2,1-2H3,(H2,21,22)/t11-/m1/s1
InChIKeyZFOOULFSKMNSDU-LLVKDONJSA-N
XLogP4.70
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(2R)-2-methylpiperidin-1-yl]methyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 129016513
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
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
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
N-[5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 129016624
ethane;3-[4-[5-[[5-[(2-methylpyrrolidin-1-yl)methyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]carbamoyl]pyrazin-2-yl]piperazin-1-yl]propanoic acid
CID 144971875

Frequently Asked Questions

What is the IUPAC name of 5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (CID 118636375) is 5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is Cc1cc(-c2nc(N)sc2CN2CCC[C@H]2C)cc(C(F)(F)F)c1.
What is the InChIKey of 5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The InChIKey is ZFOOULFSKMNSDU-LLVKDONJSA-N. The full InChI is InChI=1S/C17H20F3N3S/c1-10-6-12(8-13(7-10)17(18,19)20)15-14(24-16(21)22-15)9-23-5-3-4-11(23)2/h6-8,11H,3-5,9H2,1-2H3,(H2,21,22)/t11-/m1/s1.
What are the key properties of 5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine has a molecular weight of 355.43 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 118636375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).