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

C10H14F2N2S — CID 84795509

IUPAC4-(1,1-difluoroethyl)-2-piperidin-4-yl-1,3-thiazole
SMILESCC(F)(F)c1csc(C2CCNCC2)n1
InChIInChI=1S/C10H14F2N2S/c1-10(11,12)8-6-15-9(14-8)7-2-4-13-5-3-7/h6-7,13H,2-5H2,1H3
InChIKeyBOOAQOKREYQLBF-UHFFFAOYSA-N
MW232.30 g/mol
LogP2.72
Rot. Bonds2

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

4-(1,1-difluoroethyl)-2-piperidin-4-yl-1,3-thiazole (PubChem CID 84795509) has the molecular formula C10H14F2N2S and a molecular weight of 232.30 g/mol. Its IUPAC name is 4-(1,1-difluoroethyl)-2-piperidin-4-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(1,1-difluoroethyl)-2-piperidin-4-yl-1,3-thiazole
PubChem CID84795509
Molecular FormulaC10H14F2N2S
Molecular Weight232.30 g/mol
Exact Mass232.08
IUPAC Name4-(1,1-difluoroethyl)-2-piperidin-4-yl-1,3-thiazole
SMILESCC(F)(F)c1csc(C2CCNCC2)n1
InChIInChI=1S/C10H14F2N2S/c1-10(11,12)8-6-15-9(14-8)7-2-4-13-5-3-7/h6-7,13H,2-5H2,1H3
InChIKeyBOOAQOKREYQLBF-UHFFFAOYSA-N
XLogP2.72
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1-difluoroethyl)-2-piperidin-4-yl-1,3-thiazole?
The IUPAC name of 4-(1,1-difluoroethyl)-2-piperidin-4-yl-1,3-thiazole (CID 84795509) is 4-(1,1-difluoroethyl)-2-piperidin-4-yl-1,3-thiazole.
What is the SMILES notation for 4-(1,1-difluoroethyl)-2-piperidin-4-yl-1,3-thiazole?
The canonical SMILES for 4-(1,1-difluoroethyl)-2-piperidin-4-yl-1,3-thiazole is CC(F)(F)c1csc(C2CCNCC2)n1.
What is the InChIKey of 4-(1,1-difluoroethyl)-2-piperidin-4-yl-1,3-thiazole?
The InChIKey is BOOAQOKREYQLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2S/c1-10(11,12)8-6-15-9(14-8)7-2-4-13-5-3-7/h6-7,13H,2-5H2,1H3.
What are the key properties of 4-(1,1-difluoroethyl)-2-piperidin-4-yl-1,3-thiazole?
4-(1,1-difluoroethyl)-2-piperidin-4-yl-1,3-thiazole has a molecular weight of 232.30 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-difluoroethyl)-2-piperidin-4-yl-1,3-thiazole is sourced from PubChem (CID 84795509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).