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

C17H20F3N3S — CID 138638550

IUPAC5-[(2-methylpiperidin-1-yl)methyl]-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESCC1CCCCN1Cc1sc(N)nc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H20F3N3S/c1-11-5-2-3-8-23(11)10-14-15(22-16(21)24-14)12-6-4-7-13(9-12)17(18,19)20/h4,6-7,9,11H,2-3,5,8,10H2,1H3,(H2,21,22)
InChIKeyIFWLEJHNAGJHDN-UHFFFAOYSA-N
MW355.43 g/mol
LogP4.79
Rot. Bonds3

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

5-[(2-methylpiperidin-1-yl)methyl]-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (PubChem CID 138638550) has the molecular formula C17H20F3N3S and a molecular weight of 355.43 g/mol. Its IUPAC name is 5-[(2-methylpiperidin-1-yl)methyl]-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(2-methylpiperidin-1-yl)methyl]-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
PubChem CID138638550
Molecular FormulaC17H20F3N3S
Molecular Weight355.43 g/mol
Exact Mass355.13
IUPAC Name5-[(2-methylpiperidin-1-yl)methyl]-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
SMILESCC1CCCCN1Cc1sc(N)nc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H20F3N3S/c1-11-5-2-3-8-23(11)10-14-15(22-16(21)24-14)12-6-4-7-13(9-12)17(18,19)20/h4,6-7,9,11H,2-3,5,8,10H2,1H3,(H2,21,22)
InChIKeyIFWLEJHNAGJHDN-UHFFFAOYSA-N
XLogP4.79
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 ≤ 54.79
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-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 118636375
N-[5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 129016624
5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-4-[4-propoxy-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 129016408
5-[(2-ethylpyrrolidin-1-yl)methyl]-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 129016603
4-(3,5-dichloro-4-methylphenyl)-5-[[(2R)-2-methylpyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 130211597
5-[[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]methyl]-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 126741263
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
2-[2-(2-methylpiperidin-1-yl)ethyl]-4-[3-(trifluoromethyl)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]quinazoline
CID 91050318
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
4-[4-(1-fluoroethoxy)-3-(trifluoromethyl)phenyl]-N-methyl-5-[(2-methylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 144691587

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylpiperidin-1-yl)methyl]-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(2-methylpiperidin-1-yl)methyl]-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine (CID 138638550) is 5-[(2-methylpiperidin-1-yl)methyl]-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(2-methylpiperidin-1-yl)methyl]-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(2-methylpiperidin-1-yl)methyl]-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is CC1CCCCN1Cc1sc(N)nc1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-[(2-methylpiperidin-1-yl)methyl]-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
The InChIKey is IFWLEJHNAGJHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3S/c1-11-5-2-3-8-23(11)10-14-15(22-16(21)24-14)12-6-4-7-13(9-12)17(18,19)20/h4,6-7,9,11H,2-3,5,8,10H2,1H3,(H2,21,22).
What are the key properties of 5-[(2-methylpiperidin-1-yl)methyl]-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine?
5-[(2-methylpiperidin-1-yl)methyl]-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine has a molecular weight of 355.43 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylpiperidin-1-yl)methyl]-4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 138638550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).