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

C11H16F3N3S — CID 113497288

IUPACN-methyl-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
SMILESCNCc1sc(N2CCCCC2)nc1C(F)(F)F
InChIInChI=1S/C11H16F3N3S/c1-15-7-8-9(11(12,13)14)16-10(18-8)17-5-3-2-4-6-17/h15H,2-7H2,1H3
InChIKeyQEYHTCIIUQWQFA-UHFFFAOYSA-N
MW279.33 g/mol
LogP2.87
Rot. Bonds3

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

N-methyl-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 113497288) has the molecular formula C11H16F3N3S and a molecular weight of 279.33 g/mol. Its IUPAC name is N-methyl-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
PubChem CID113497288
Molecular FormulaC11H16F3N3S
Molecular Weight279.33 g/mol
Exact Mass279.10
IUPAC NameN-methyl-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
SMILESCNCc1sc(N2CCCCC2)nc1C(F)(F)F
InChIInChI=1S/C11H16F3N3S/c1-15-7-8-9(11(12,13)14)16-10(18-8)17-5-3-2-4-6-17/h15H,2-7H2,1H3
InChIKeyQEYHTCIIUQWQFA-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
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-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of N-methyl-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine (CID 113497288) is N-methyl-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for N-methyl-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine is CNCc1sc(N2CCCCC2)nc1C(F)(F)F.
What is the InChIKey of N-methyl-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is QEYHTCIIUQWQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3S/c1-15-7-8-9(11(12,13)14)16-10(18-8)17-5-3-2-4-6-17/h15H,2-7H2,1H3.
What are the key properties of N-methyl-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine?
N-methyl-1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 279.33 g/mol, XLogP of 2.87, 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-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 113497288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).