N-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine

C12H18F3N3S — CID 63242529

IUPACN-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESFC(F)(F)CN1CCC(NCCc2nccs2)CC1
InChIInChI=1S/C12H18F3N3S/c13-12(14,15)9-18-6-2-10(3-7-18)16-4-1-11-17-5-8-19-11/h5,8,10,16H,1-4,6-7,9H2
InChIKeyIUNXHEBNLPNMHA-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.30
Rot. Bonds5

About N-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine

N-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 63242529) has the molecular formula C12H18F3N3S and a molecular weight of 293.36 g/mol. Its IUPAC name is N-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID63242529
Molecular FormulaC12H18F3N3S
Molecular Weight293.36 g/mol
Exact Mass293.12
IUPAC NameN-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESFC(F)(F)CN1CCC(NCCc2nccs2)CC1
InChIInChI=1S/C12H18F3N3S/c13-12(14,15)9-18-6-2-10(3-7-18)16-4-1-11-17-5-8-19-11/h5,8,10,16H,1-4,6-7,9H2
InChIKeyIUNXHEBNLPNMHA-UHFFFAOYSA-N
XLogP2.30
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,3-Thiazol-2-yl)piperidine
CID 24261825
2-(1,3-Thiazol-2-yl)piperidine
CID 3625593
3-(2-Thiazolyl)piperidine
CID 24261802
2-(Piperidin-4-ylmethyl)thiazole
CID 24262107
1-[1-(1,3-Thiazol-2-yl)ethyl]piperazine
CID 45789030
(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
3-fluoro-N-methyl-3-(1,3-thiazol-2-yl)pentan-1-amine
CID 71190891
2-Methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]piperidin-4-amine
CID 117721479

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 63242529) is N-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine is FC(F)(F)CN1CCC(NCCc2nccs2)CC1.
What is the InChIKey of N-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is IUNXHEBNLPNMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3S/c13-12(14,15)9-18-6-2-10(3-7-18)16-4-1-11-17-5-8-19-11/h5,8,10,16H,1-4,6-7,9H2.
What are the key properties of N-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 293.36 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 63242529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).