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

C10H14F3N3S — CID 78978297

IUPACN-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1,3-thiazol-2-amine
SMILESFC(F)(F)CN1CCC(Nc2nccs2)CC1
InChIInChI=1S/C10H14F3N3S/c11-10(12,13)7-16-4-1-8(2-5-16)15-9-14-3-6-17-9/h3,6,8H,1-2,4-5,7H2,(H,14,15)
InChIKeyAKZVVPJGHDIGIE-UHFFFAOYSA-N
MW265.30 g/mol
LogP2.58
Rot. Bonds3

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

N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1,3-thiazol-2-amine (PubChem CID 78978297) has the molecular formula C10H14F3N3S and a molecular weight of 265.30 g/mol. Its IUPAC name is N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1,3-thiazol-2-amine
PubChem CID78978297
Molecular FormulaC10H14F3N3S
Molecular Weight265.30 g/mol
Exact Mass265.09
IUPAC NameN-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1,3-thiazol-2-amine
SMILESFC(F)(F)CN1CCC(Nc2nccs2)CC1
InChIInChI=1S/C10H14F3N3S/c11-10(12,13)7-16-4-1-8(2-5-16)15-9-14-3-6-17-9/h3,6,8H,1-2,4-5,7H2,(H,14,15)
InChIKeyAKZVVPJGHDIGIE-UHFFFAOYSA-N
XLogP2.58
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1,3-thiazol-2-amine?
The IUPAC name of N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1,3-thiazol-2-amine (CID 78978297) is N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1,3-thiazol-2-amine is FC(F)(F)CN1CCC(Nc2nccs2)CC1.
What is the InChIKey of N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1,3-thiazol-2-amine?
The InChIKey is AKZVVPJGHDIGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3S/c11-10(12,13)7-16-4-1-8(2-5-16)15-9-14-3-6-17-9/h3,6,8H,1-2,4-5,7H2,(H,14,15).
What are the key properties of N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1,3-thiazol-2-amine?
N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1,3-thiazol-2-amine has a molecular weight of 265.30 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 78978297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).