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

C9H12F3N3S — CID 106784017

IUPAC1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]piperidin-3-amine
SMILESNC1CCCN(c2cnc(C(F)(F)F)s2)C1
InChIInChI=1S/C9H12F3N3S/c10-9(11,12)8-14-4-7(16-8)15-3-1-2-6(13)5-15/h4,6H,1-3,5,13H2
InChIKeyZVICLOPASBSOMR-UHFFFAOYSA-N
MW251.28 g/mol
LogP2.09
Rot. Bonds1

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

1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]piperidin-3-amine (PubChem CID 106784017) has the molecular formula C9H12F3N3S and a molecular weight of 251.28 g/mol. Its IUPAC name is 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]piperidin-3-amine.

Molecular Properties

Compound Name1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]piperidin-3-amine
PubChem CID106784017
Molecular FormulaC9H12F3N3S
Molecular Weight251.28 g/mol
Exact Mass251.07
IUPAC Name1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]piperidin-3-amine
SMILESNC1CCCN(c2cnc(C(F)(F)F)s2)C1
InChIInChI=1S/C9H12F3N3S/c10-9(11,12)8-14-4-7(16-8)15-3-1-2-6(13)5-15/h4,6H,1-3,5,13H2
InChIKeyZVICLOPASBSOMR-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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Related Compounds

2-Methyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole
CID 68186460
2-[1-(Trifluoromethyl)piperazin-2-yl]-1,3-thiazole;hydrochloride
CID 69098575
2-Methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]piperidin-4-amine
CID 117721479
2-(4,4-Difluoropiperidin-1-yl)-2-(1,3-thiazol-2-yl)ethanamine
CID 118297231
5-(4,4-Difluoropiperidin-1-yl)-2-methyl-1,3-thiazole;ethane
CID 142825973
5-(4,4-Difluoropiperidin-1-yl)-2-methyl-1,3-thiazole
CID 142825974
5-(2,8-Diazaspiro[4.5]decan-2-yl)-2-(trifluoromethyl)-1,3-thiazole
CID 172394757
N-(1,3-thiazol-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 61284047
N-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 63242529
N-[1-(1,3-thiazol-2-yl)propyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 64488016
N-[1-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 64489233
2-[1-(Trifluoromethyl)piperazin-2-yl]-1,3-thiazole
CID 69098576

Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]piperidin-3-amine?
The IUPAC name of 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]piperidin-3-amine (CID 106784017) is 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]piperidin-3-amine.
What is the SMILES notation for 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]piperidin-3-amine?
The canonical SMILES for 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]piperidin-3-amine is NC1CCCN(c2cnc(C(F)(F)F)s2)C1.
What is the InChIKey of 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]piperidin-3-amine?
The InChIKey is ZVICLOPASBSOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3S/c10-9(11,12)8-14-4-7(16-8)15-3-1-2-6(13)5-15/h4,6H,1-3,5,13H2.
What are the key properties of 1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]piperidin-3-amine?
1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]piperidin-3-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-[2-(trifluoromethyl)-1,3-thiazol-5-yl]piperidin-3-amine is sourced from PubChem (CID 106784017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).