5-(1,1-difluoroethyl)-2-(piperidin-3-ylmethyl)-1,3-thiazole

C11H16F2N2S — CID 84803179

IUPAC5-(1,1-difluoroethyl)-2-(piperidin-3-ylmethyl)-1,3-thiazole
SMILESCC(F)(F)c1cnc(CC2CCCNC2)s1
InChIInChI=1S/C11H16F2N2S/c1-11(12,13)9-7-15-10(16-9)5-8-3-2-4-14-6-8/h7-8,14H,2-6H2,1H3
InChIKeyQRXBFXYEXRFGPF-UHFFFAOYSA-N
MW246.33 g/mol
LogP2.80
Rot. Bonds3

About 5-(1,1-difluoroethyl)-2-(piperidin-3-ylmethyl)-1,3-thiazole

5-(1,1-difluoroethyl)-2-(piperidin-3-ylmethyl)-1,3-thiazole (PubChem CID 84803179) has the molecular formula C11H16F2N2S and a molecular weight of 246.33 g/mol. Its IUPAC name is 5-(1,1-difluoroethyl)-2-(piperidin-3-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-(1,1-difluoroethyl)-2-(piperidin-3-ylmethyl)-1,3-thiazole
PubChem CID84803179
Molecular FormulaC11H16F2N2S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC Name5-(1,1-difluoroethyl)-2-(piperidin-3-ylmethyl)-1,3-thiazole
SMILESCC(F)(F)c1cnc(CC2CCCNC2)s1
InChIInChI=1S/C11H16F2N2S/c1-11(12,13)9-7-15-10(16-9)5-8-3-2-4-14-6-8/h7-8,14H,2-6H2,1H3
InChIKeyQRXBFXYEXRFGPF-UHFFFAOYSA-N
XLogP2.80
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1,1-difluoroethyl)-2-(piperidin-3-ylmethyl)-1,3-thiazole?
The IUPAC name of 5-(1,1-difluoroethyl)-2-(piperidin-3-ylmethyl)-1,3-thiazole (CID 84803179) is 5-(1,1-difluoroethyl)-2-(piperidin-3-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 5-(1,1-difluoroethyl)-2-(piperidin-3-ylmethyl)-1,3-thiazole?
The canonical SMILES for 5-(1,1-difluoroethyl)-2-(piperidin-3-ylmethyl)-1,3-thiazole is CC(F)(F)c1cnc(CC2CCCNC2)s1.
What is the InChIKey of 5-(1,1-difluoroethyl)-2-(piperidin-3-ylmethyl)-1,3-thiazole?
The InChIKey is QRXBFXYEXRFGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2S/c1-11(12,13)9-7-15-10(16-9)5-8-3-2-4-14-6-8/h7-8,14H,2-6H2,1H3.
What are the key properties of 5-(1,1-difluoroethyl)-2-(piperidin-3-ylmethyl)-1,3-thiazole?
5-(1,1-difluoroethyl)-2-(piperidin-3-ylmethyl)-1,3-thiazole has a molecular weight of 246.33 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-difluoroethyl)-2-(piperidin-3-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 84803179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).