5-(1,2,3,6-tetrahydropyridin-4-yl)-2-(trifluoromethyl)-1,3-thiazole

C9H9F3N2S — CID 106784090

IUPAC5-(1,2,3,6-tetrahydropyridin-4-yl)-2-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1ncc(C2=CCNCC2)s1
InChIInChI=1S/C9H9F3N2S/c10-9(11,12)8-14-5-7(15-8)6-1-3-13-4-2-6/h1,5,13H,2-4H2
InChIKeyWUSDKXYFYNSPNN-UHFFFAOYSA-N
MW234.25 g/mol
LogP2.54
Rot. Bonds1

About 5-(1,2,3,6-tetrahydropyridin-4-yl)-2-(trifluoromethyl)-1,3-thiazole

5-(1,2,3,6-tetrahydropyridin-4-yl)-2-(trifluoromethyl)-1,3-thiazole (PubChem CID 106784090) has the molecular formula C9H9F3N2S and a molecular weight of 234.25 g/mol. Its IUPAC name is 5-(1,2,3,6-tetrahydropyridin-4-yl)-2-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(1,2,3,6-tetrahydropyridin-4-yl)-2-(trifluoromethyl)-1,3-thiazole
PubChem CID106784090
Molecular FormulaC9H9F3N2S
Molecular Weight234.25 g/mol
Exact Mass234.04
IUPAC Name5-(1,2,3,6-tetrahydropyridin-4-yl)-2-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1ncc(C2=CCNCC2)s1
InChIInChI=1S/C9H9F3N2S/c10-9(11,12)8-14-5-7(15-8)6-1-3-13-4-2-6/h1,5,13H,2-4H2
InChIKeyWUSDKXYFYNSPNN-UHFFFAOYSA-N
XLogP2.54
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1,2,3,6-tetrahydropyridin-4-yl)-2-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 5-(1,2,3,6-tetrahydropyridin-4-yl)-2-(trifluoromethyl)-1,3-thiazole (CID 106784090) is 5-(1,2,3,6-tetrahydropyridin-4-yl)-2-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 5-(1,2,3,6-tetrahydropyridin-4-yl)-2-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 5-(1,2,3,6-tetrahydropyridin-4-yl)-2-(trifluoromethyl)-1,3-thiazole is FC(F)(F)c1ncc(C2=CCNCC2)s1.
What is the InChIKey of 5-(1,2,3,6-tetrahydropyridin-4-yl)-2-(trifluoromethyl)-1,3-thiazole?
The InChIKey is WUSDKXYFYNSPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2S/c10-9(11,12)8-14-5-7(15-8)6-1-3-13-4-2-6/h1,5,13H,2-4H2.
What are the key properties of 5-(1,2,3,6-tetrahydropyridin-4-yl)-2-(trifluoromethyl)-1,3-thiazole?
5-(1,2,3,6-tetrahydropyridin-4-yl)-2-(trifluoromethyl)-1,3-thiazole has a molecular weight of 234.25 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2,3,6-tetrahydropyridin-4-yl)-2-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 106784090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).