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

C12H16F4N2OS — CID 103477119

IUPAC4-piperidin-2-yl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole
SMILESFC(F)C(F)(F)COCc1nc(C2CCCCN2)cs1
InChIInChI=1S/C12H16F4N2OS/c13-11(14)12(15,16)7-19-5-10-18-9(6-20-10)8-3-1-2-4-17-8/h6,8,11,17H,1-5,7H2
InChIKeyWSJKUVIVXBGYCO-UHFFFAOYSA-N
MW312.33 g/mol
LogP3.37
Rot. Bonds6

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

4-piperidin-2-yl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole (PubChem CID 103477119) has the molecular formula C12H16F4N2OS and a molecular weight of 312.33 g/mol. Its IUPAC name is 4-piperidin-2-yl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-piperidin-2-yl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole
PubChem CID103477119
Molecular FormulaC12H16F4N2OS
Molecular Weight312.33 g/mol
Exact Mass312.09
IUPAC Name4-piperidin-2-yl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole
SMILESFC(F)C(F)(F)COCc1nc(C2CCCCN2)cs1
InChIInChI=1S/C12H16F4N2OS/c13-11(14)12(15,16)7-19-5-10-18-9(6-20-10)8-3-1-2-4-17-8/h6,8,11,17H,1-5,7H2
InChIKeyWSJKUVIVXBGYCO-UHFFFAOYSA-N
XLogP3.37
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-2-yl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole?
The IUPAC name of 4-piperidin-2-yl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole (CID 103477119) is 4-piperidin-2-yl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole.
What is the SMILES notation for 4-piperidin-2-yl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole?
The canonical SMILES for 4-piperidin-2-yl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole is FC(F)C(F)(F)COCc1nc(C2CCCCN2)cs1.
What is the InChIKey of 4-piperidin-2-yl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole?
The InChIKey is WSJKUVIVXBGYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F4N2OS/c13-11(14)12(15,16)7-19-5-10-18-9(6-20-10)8-3-1-2-4-17-8/h6,8,11,17H,1-5,7H2.
What are the key properties of 4-piperidin-2-yl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole?
4-piperidin-2-yl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole has a molecular weight of 312.33 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-2-yl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole is sourced from PubChem (CID 103477119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).