N-methyl-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-3-amine

C11H16F3N3S — CID 120838020

IUPACN-methyl-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-3-amine
SMILESCNC1CCCN(Cc2cnc(C(F)(F)F)s2)C1
InChIInChI=1S/C11H16F3N3S/c1-15-8-3-2-4-17(6-8)7-9-5-16-10(18-9)11(12,13)14/h5,8,15H,2-4,6-7H2,1H3
InChIKeyURLFYFWQLHOXOL-UHFFFAOYSA-N
MW279.33 g/mol
LogP2.35
Rot. Bonds3

About N-methyl-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-3-amine

N-methyl-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-3-amine (PubChem CID 120838020) has the molecular formula C11H16F3N3S and a molecular weight of 279.33 g/mol. Its IUPAC name is N-methyl-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-3-amine
PubChem CID120838020
Molecular FormulaC11H16F3N3S
Molecular Weight279.33 g/mol
Exact Mass279.10
IUPAC NameN-methyl-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-3-amine
SMILESCNC1CCCN(Cc2cnc(C(F)(F)F)s2)C1
InChIInChI=1S/C11H16F3N3S/c1-15-8-3-2-4-17(6-8)7-9-5-16-10(18-9)11(12,13)14/h5,8,15H,2-4,6-7H2,1H3
InChIKeyURLFYFWQLHOXOL-UHFFFAOYSA-N
XLogP2.35
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3-methylpiperazin-1-yl)methyl]-2-(trifluoromethyl)-1,3-thiazole
CID 120840264
5-[[(3S)-3-methylpiperazin-1-yl]methyl]-2-(trifluoromethyl)-1,3-thiazole
CID 120845864
1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine
CID 120834528
N-(cyclopropylmethyl)-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine;hydrochloride
CID 120841624
5-[[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]-2-(trifluoromethyl)-1,3-thiazole
CID 120846149
3,3-dimethyl-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine;hydrochloride
CID 120847158
N-methyl-1-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-3-amine
CID 119918358
5-[(3-anilinopiperidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 120901186
1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-3,6-dihydro-2H-pyridine-3-carboxylic acid
CID 166282932
N-methyl-1-[[5-(1-methylpyrazol-4-yl)thiophen-2-yl]methyl]piperidin-3-amine;hydrochloride
CID 120837932
(3R)-1-benzyl-N-methylpiperidin-3-amine;sulfane
CID 162106706
N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 112639666

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-3-amine?
The IUPAC name of N-methyl-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-3-amine (CID 120838020) is N-methyl-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-3-amine.
What is the SMILES notation for N-methyl-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-3-amine?
The canonical SMILES for N-methyl-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-3-amine is CNC1CCCN(Cc2cnc(C(F)(F)F)s2)C1.
What is the InChIKey of N-methyl-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-3-amine?
The InChIKey is URLFYFWQLHOXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3S/c1-15-8-3-2-4-17(6-8)7-9-5-16-10(18-9)11(12,13)14/h5,8,15H,2-4,6-7H2,1H3.
What are the key properties of N-methyl-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-3-amine?
N-methyl-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-3-amine has a molecular weight of 279.33 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-3-amine is sourced from PubChem (CID 120838020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).