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

C9H12F3N3S — CID 69066579

IUPAC1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-amine
SMILESNC1CCN(c2nc(C(F)(F)F)cs2)CC1
InChIInChI=1S/C9H12F3N3S/c10-9(11,12)7-5-16-8(14-7)15-3-1-6(13)2-4-15/h5-6H,1-4,13H2
InChIKeyOKBLWEOWKGNEAN-UHFFFAOYSA-N
MW251.28 g/mol
LogP2.09
Rot. Bonds1

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

1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-amine (PubChem CID 69066579) has the molecular formula C9H12F3N3S and a molecular weight of 251.28 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-amine
PubChem CID69066579
Molecular FormulaC9H12F3N3S
Molecular Weight251.28 g/mol
Exact Mass251.07
IUPAC Name1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-amine
SMILESNC1CCN(c2nc(C(F)(F)F)cs2)CC1
InChIInChI=1S/C9H12F3N3S/c10-9(11,12)7-5-16-8(14-7)15-3-1-6(13)2-4-15/h5-6H,1-4,13H2
InChIKeyOKBLWEOWKGNEAN-UHFFFAOYSA-N
XLogP2.09
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
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-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-amine?
The IUPAC name of 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-amine (CID 69066579) is 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-amine.
What is the SMILES notation for 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-amine?
The canonical SMILES for 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-amine is NC1CCN(c2nc(C(F)(F)F)cs2)CC1.
What is the InChIKey of 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-amine?
The InChIKey is OKBLWEOWKGNEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3S/c10-9(11,12)7-5-16-8(14-7)15-3-1-6(13)2-4-15/h5-6H,1-4,13H2.
What are the key properties of 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-amine?
1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-amine has a molecular weight of 251.28 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-amine is sourced from PubChem (CID 69066579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).