N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine

C12H18F3N3S — CID 54913030

IUPACN-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCc1csc(CNC2CCN(CC(F)(F)F)CC2)n1
InChIInChI=1S/C12H18F3N3S/c1-9-7-19-11(17-9)6-16-10-2-4-18(5-3-10)8-12(13,14)15/h7,10,16H,2-6,8H2,1H3
InChIKeyHHLHKWBYIZSFQM-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.57
Rot. Bonds4

About N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine

N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 54913030) has the molecular formula C12H18F3N3S and a molecular weight of 293.36 g/mol. Its IUPAC name is N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID54913030
Molecular FormulaC12H18F3N3S
Molecular Weight293.36 g/mol
Exact Mass293.12
IUPAC NameN-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCc1csc(CNC2CCN(CC(F)(F)F)CC2)n1
InChIInChI=1S/C12H18F3N3S/c1-9-7-19-11(17-9)6-16-10-2-4-18(5-3-10)8-12(13,14)15/h7,10,16H,2-6,8H2,1H3
InChIKeyHHLHKWBYIZSFQM-UHFFFAOYSA-N
XLogP2.57
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 54913030) is N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine is Cc1csc(CNC2CCN(CC(F)(F)F)CC2)n1.
What is the InChIKey of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is HHLHKWBYIZSFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3S/c1-9-7-19-11(17-9)6-16-10-2-4-18(5-3-10)8-12(13,14)15/h7,10,16H,2-6,8H2,1H3.
What are the key properties of N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 293.36 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 54913030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).