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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Related Compounds

3,3-dimethyl-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine;hydrochloride
CID 120847158
N-(cyclopropylmethyl)-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine;hydrochloride
CID 120841624
N-methyl-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-3-amine
CID 120838020
5-[[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]-2-(trifluoromethyl)-1,3-thiazole
CID 120846149
5-[(3-methylpiperazin-1-yl)methyl]-2-(trifluoromethyl)-1,3-thiazole
CID 120840264
5-[[(3S)-3-methylpiperazin-1-yl]methyl]-2-(trifluoromethyl)-1,3-thiazole
CID 120845864
2-chloro-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 79764598
1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]piperidin-4-amine
CID 175659850
1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-3,6-dihydro-2H-pyridine-3-carboxylic acid
CID 166282932
(3S)-1-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrrolidin-3-amine
CID 120836248
[4-methoxy-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-2-yl]methanamine
CID 120843786
3-[5-[(4-aminopiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1,1-dicyclohexylurea
CID 87417769

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).