N-(1,3-thiazol-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine

C11H16F3N3S — CID 61284047

IUPACN-(1,3-thiazol-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESFC(F)(F)CN1CCC(NCc2nccs2)CC1
InChIInChI=1S/C11H16F3N3S/c12-11(13,14)8-17-4-1-9(2-5-17)16-7-10-15-3-6-18-10/h3,6,9,16H,1-2,4-5,7-8H2
InChIKeyHBHGDCXQBFWRGV-UHFFFAOYSA-N
MW279.33 g/mol
LogP2.26
Rot. Bonds4

About N-(1,3-thiazol-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine

N-(1,3-thiazol-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 61284047) has the molecular formula C11H16F3N3S and a molecular weight of 279.33 g/mol. Its IUPAC name is N-(1,3-thiazol-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(1,3-thiazol-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID61284047
Molecular FormulaC11H16F3N3S
Molecular Weight279.33 g/mol
Exact Mass279.10
IUPAC NameN-(1,3-thiazol-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESFC(F)(F)CN1CCC(NCc2nccs2)CC1
InChIInChI=1S/C11H16F3N3S/c12-11(13,14)8-17-4-1-9(2-5-17)16-7-10-15-3-6-18-10/h3,6,9,16H,1-2,4-5,7-8H2
InChIKeyHBHGDCXQBFWRGV-UHFFFAOYSA-N
XLogP2.26
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-Thiazol-2-yl)piperidine
CID 3625593
2-(3,9-Diazaspiro[5.5]undecan-3-ylmethyl)-1,3-thiazole
CID 3234760
1-[1-(1,3-Thiazol-2-yl)ethyl]piperazine
CID 45789030
2-(2,7-Diazaspiro[3.5]nonan-2-ylmethyl)-1,3-thiazole
CID 3234046
1-(1,3-thiazol-2-yl)-N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-amine
CID 97810837
(2S)-1-(azepan-1-yl)-N-[2-(1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 125527390
2-[1-(Trifluoromethyl)piperazin-2-yl]-1,3-thiazole;hydrochloride
CID 69098575
2-[6-Chloro-1-(trifluoromethyl)piperazin-2-yl]-1,3-thiazole
CID 69098598
2-[6-Chloro-1-(trifluoromethyl)piperazin-2-yl]-1,3-thiazole;hydrochloride
CID 69098723
2-[6-Methyl-1-(trifluoromethyl)piperazin-2-yl]-1,3-thiazole;hydrochloride
CID 69099008
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)acetonitrile
CID 118297230

Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-(1,3-thiazol-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 61284047) is N-(1,3-thiazol-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-(1,3-thiazol-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-(1,3-thiazol-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is FC(F)(F)CN1CCC(NCc2nccs2)CC1.
What is the InChIKey of N-(1,3-thiazol-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is HBHGDCXQBFWRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3S/c12-11(13,14)8-17-4-1-9(2-5-17)16-7-10-15-3-6-18-10/h3,6,9,16H,1-2,4-5,7-8H2.
What are the key properties of N-(1,3-thiazol-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-(1,3-thiazol-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 279.33 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 61284047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).