2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazole

C9H11F3N2S — CID 68716949

IUPAC2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1csc(N2CCCCC2)n1
InChIInChI=1S/C9H11F3N2S/c10-9(11,12)7-6-15-8(13-7)14-4-2-1-3-5-14/h6H,1-5H2
InChIKeyDQKCEFQTULPVKS-UHFFFAOYSA-N
MW236.26 g/mol
LogP3.15
Rot. Bonds1

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

2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 68716949) has the molecular formula C9H11F3N2S and a molecular weight of 236.26 g/mol. Its IUPAC name is 2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazole
PubChem CID68716949
Molecular FormulaC9H11F3N2S
Molecular Weight236.26 g/mol
Exact Mass236.06
IUPAC Name2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1csc(N2CCCCC2)n1
InChIInChI=1S/C9H11F3N2S/c10-9(11,12)7-6-15-8(13-7)14-4-2-1-3-5-14/h6H,1-5H2
InChIKeyDQKCEFQTULPVKS-UHFFFAOYSA-N
XLogP3.15
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazole (CID 68716949) is 2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazole is FC(F)(F)c1csc(N2CCCCC2)n1.
What is the InChIKey of 2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is DQKCEFQTULPVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2S/c10-9(11,12)7-6-15-8(13-7)14-4-2-1-3-5-14/h6H,1-5H2.
What are the key properties of 2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazole?
2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 236.26 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 68716949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).