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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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).