N-methyl-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine;hydrochloride

C11H17ClF3N3S — CID 120835366

IUPACN-methyl-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine;hydrochloride
SMILESCN(Cc1cnc(C(F)(F)F)s1)C1CCNCC1.Cl
InChIInChI=1S/C11H16F3N3S.ClH/c1-17(8-2-4-15-5-3-8)7-9-6-16-10(18-9)11(12,13)14;/h6,8,15H,2-5,7H2,1H3;1H
InChIKeyLCJIAPPMHATHQT-UHFFFAOYSA-N
MW315.79 g/mol
LogP2.77
Rot. Bonds3

About N-methyl-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine;hydrochloride

N-methyl-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine;hydrochloride (PubChem CID 120835366) has the molecular formula C11H17ClF3N3S and a molecular weight of 315.79 g/mol. Its IUPAC name is N-methyl-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine;hydrochloride
PubChem CID120835366
Molecular FormulaC11H17ClF3N3S
Molecular Weight315.79 g/mol
Exact Mass315.08
IUPAC NameN-methyl-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine;hydrochloride
SMILESCN(Cc1cnc(C(F)(F)F)s1)C1CCNCC1.Cl
InChIInChI=1S/C11H16F3N3S.ClH/c1-17(8-2-4-15-5-3-8)7-9-6-16-10(18-9)11(12,13)14;/h6,8,15H,2-5,7H2,1H3;1H
InChIKeyLCJIAPPMHATHQT-UHFFFAOYSA-N
XLogP2.77
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.79
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine;hydrochloride?
The IUPAC name of N-methyl-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine;hydrochloride (CID 120835366) is N-methyl-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine;hydrochloride.
What is the SMILES notation for N-methyl-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine;hydrochloride?
The canonical SMILES for N-methyl-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine;hydrochloride is CN(Cc1cnc(C(F)(F)F)s1)C1CCNCC1.Cl.
What is the InChIKey of N-methyl-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine;hydrochloride?
The InChIKey is LCJIAPPMHATHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3S.ClH/c1-17(8-2-4-15-5-3-8)7-9-6-16-10(18-9)11(12,13)14;/h6,8,15H,2-5,7H2,1H3;1H.
What are the key properties of N-methyl-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine;hydrochloride?
N-methyl-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine;hydrochloride has a molecular weight of 315.79 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine;hydrochloride is sourced from PubChem (CID 120835366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).