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

C10H14F3N3S — CID 120834528

IUPAC1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine
SMILESNC1CCN(Cc2cnc(C(F)(F)F)s2)CC1
InChIInChI=1S/C10H14F3N3S/c11-10(12,13)9-15-5-8(17-9)6-16-3-1-7(14)2-4-16/h5,7H,1-4,6,14H2
InChIKeyYFEDBBSHYOXXON-UHFFFAOYSA-N
MW265.30 g/mol
LogP2.09
Rot. Bonds2

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

1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine (PubChem CID 120834528) has the molecular formula C10H14F3N3S and a molecular weight of 265.30 g/mol. Its IUPAC name is 1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine
PubChem CID120834528
Molecular FormulaC10H14F3N3S
Molecular Weight265.30 g/mol
Exact Mass265.09
IUPAC Name1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine
SMILESNC1CCN(Cc2cnc(C(F)(F)F)s2)CC1
InChIInChI=1S/C10H14F3N3S/c11-10(12,13)9-15-5-8(17-9)6-16-3-1-7(14)2-4-16/h5,7H,1-4,6,14H2
InChIKeyYFEDBBSHYOXXON-UHFFFAOYSA-N
XLogP2.09
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine?
The IUPAC name of 1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine (CID 120834528) is 1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine.
What is the SMILES notation for 1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine?
The canonical SMILES for 1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine is NC1CCN(Cc2cnc(C(F)(F)F)s2)CC1.
What is the InChIKey of 1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine?
The InChIKey is YFEDBBSHYOXXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3S/c11-10(12,13)9-15-5-8(17-9)6-16-3-1-7(14)2-4-16/h5,7H,1-4,6,14H2.
What are the key properties of 1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine?
1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine has a molecular weight of 265.30 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine is sourced from PubChem (CID 120834528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).