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

C9H11F3N2S — CID 62541784

IUPAC2-piperidin-4-yl-4-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1csc(C2CCNCC2)n1
InChIInChI=1S/C9H11F3N2S/c10-9(11,12)7-5-15-8(14-7)6-1-3-13-4-2-6/h5-6,13H,1-4H2
InChIKeyLESCGCCPEGZDKA-UHFFFAOYSA-N
MW236.26 g/mol
LogP2.63
Rot. Bonds1

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

2-piperidin-4-yl-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 62541784) has the molecular formula C9H11F3N2S and a molecular weight of 236.26 g/mol. Its IUPAC name is 2-piperidin-4-yl-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-piperidin-4-yl-4-(trifluoromethyl)-1,3-thiazole
PubChem CID62541784
Molecular FormulaC9H11F3N2S
Molecular Weight236.26 g/mol
Exact Mass236.06
IUPAC Name2-piperidin-4-yl-4-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1csc(C2CCNCC2)n1
InChIInChI=1S/C9H11F3N2S/c10-9(11,12)7-5-15-8(14-7)6-1-3-13-4-2-6/h5-6,13H,1-4H2
InChIKeyLESCGCCPEGZDKA-UHFFFAOYSA-N
XLogP2.63
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-yl-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-piperidin-4-yl-4-(trifluoromethyl)-1,3-thiazole (CID 62541784) is 2-piperidin-4-yl-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-piperidin-4-yl-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-piperidin-4-yl-4-(trifluoromethyl)-1,3-thiazole is FC(F)(F)c1csc(C2CCNCC2)n1.
What is the InChIKey of 2-piperidin-4-yl-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is LESCGCCPEGZDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2S/c10-9(11,12)7-5-15-8(14-7)6-1-3-13-4-2-6/h5-6,13H,1-4H2.
What are the key properties of 2-piperidin-4-yl-4-(trifluoromethyl)-1,3-thiazole?
2-piperidin-4-yl-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 236.26 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-yl-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 62541784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).