5-(3-ethylpiperidin-4-yl)-2-(trifluoromethyl)-1,3-thiazole

C11H15F3N2S — CID 106784094

IUPAC5-(3-ethylpiperidin-4-yl)-2-(trifluoromethyl)-1,3-thiazole
SMILESCCC1CNCCC1c1cnc(C(F)(F)F)s1
InChIInChI=1S/C11H15F3N2S/c1-2-7-5-15-4-3-8(7)9-6-16-10(17-9)11(12,13)14/h6-8,15H,2-5H2,1H3
InChIKeyJEVSOHIHAYYHKK-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.27
Rot. Bonds2

About 5-(3-ethylpiperidin-4-yl)-2-(trifluoromethyl)-1,3-thiazole

5-(3-ethylpiperidin-4-yl)-2-(trifluoromethyl)-1,3-thiazole (PubChem CID 106784094) has the molecular formula C11H15F3N2S and a molecular weight of 264.32 g/mol. Its IUPAC name is 5-(3-ethylpiperidin-4-yl)-2-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(3-ethylpiperidin-4-yl)-2-(trifluoromethyl)-1,3-thiazole
PubChem CID106784094
Molecular FormulaC11H15F3N2S
Molecular Weight264.32 g/mol
Exact Mass264.09
IUPAC Name5-(3-ethylpiperidin-4-yl)-2-(trifluoromethyl)-1,3-thiazole
SMILESCCC1CNCCC1c1cnc(C(F)(F)F)s1
InChIInChI=1S/C11H15F3N2S/c1-2-7-5-15-4-3-8(7)9-6-16-10(17-9)11(12,13)14/h6-8,15H,2-5H2,1H3
InChIKeyJEVSOHIHAYYHKK-UHFFFAOYSA-N
XLogP3.27
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-Methyl-1,3-thiazol-2-yl)piperidine
CID 62651152
4-(1,3-Thiazol-5-yl)piperidine dihydrochloride
CID 126810939
5-(2-Methylpropyl)-2-(trifluoromethyl)-1,3-thiazole
CID 68055880
5-(Piperidin-4-yl)thiazole
CID 82413083
1-Methyl-2-(1,3-thiazol-5-yl)-2-(trifluoromethyl)piperidin-4-amine
CID 117721481
1-Methyl-2-[2-(trifluoromethyl)-1,3-thiazol-5-yl]piperidin-4-amine
CID 117721483
5-(2,2-Dimethylpropyl)-2-(trifluoromethyl)-1,3-thiazole
CID 118516102
5-(2-Methylpropyl)-2-(2,2,2-trifluoroethyl)-1,3-thiazole
CID 137444283
5-Butan-2-yl-2-(trifluoromethyl)-1,3-thiazole
CID 144868136
4-[2-(Difluoromethyl)-1,3-thiazol-5-yl]cyclohexan-1-amine
CID 146435255
5-Nonan-3-yl-2-(trifluoromethyl)-1,3-thiazole
CID 146558774
2-Propan-2-yl-5-[2-(trifluoromethyl)cyclohexyl]-1,3-thiazole
CID 157060119

Frequently Asked Questions

What is the IUPAC name of 5-(3-ethylpiperidin-4-yl)-2-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 5-(3-ethylpiperidin-4-yl)-2-(trifluoromethyl)-1,3-thiazole (CID 106784094) is 5-(3-ethylpiperidin-4-yl)-2-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 5-(3-ethylpiperidin-4-yl)-2-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 5-(3-ethylpiperidin-4-yl)-2-(trifluoromethyl)-1,3-thiazole is CCC1CNCCC1c1cnc(C(F)(F)F)s1.
What is the InChIKey of 5-(3-ethylpiperidin-4-yl)-2-(trifluoromethyl)-1,3-thiazole?
The InChIKey is JEVSOHIHAYYHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2S/c1-2-7-5-15-4-3-8(7)9-6-16-10(17-9)11(12,13)14/h6-8,15H,2-5H2,1H3.
What are the key properties of 5-(3-ethylpiperidin-4-yl)-2-(trifluoromethyl)-1,3-thiazole?
5-(3-ethylpiperidin-4-yl)-2-(trifluoromethyl)-1,3-thiazole has a molecular weight of 264.32 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethylpiperidin-4-yl)-2-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 106784094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).