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

C10H11F5N2S — CID 166602194

IUPAC2-[4-(difluoromethyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)C1CCN(c2nc(C(F)(F)F)cs2)CC1
InChIInChI=1S/C10H11F5N2S/c11-8(12)6-1-3-17(4-2-6)9-16-7(5-18-9)10(13,14)15/h5-6,8H,1-4H2
InChIKeyZVAMPDBLFHDHAP-UHFFFAOYSA-N
MW286.27 g/mol
LogP3.64
Rot. Bonds2

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

2-[4-(difluoromethyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 166602194) has the molecular formula C10H11F5N2S and a molecular weight of 286.27 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(difluoromethyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-thiazole
PubChem CID166602194
Molecular FormulaC10H11F5N2S
Molecular Weight286.27 g/mol
Exact Mass286.06
IUPAC Name2-[4-(difluoromethyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)C1CCN(c2nc(C(F)(F)F)cs2)CC1
InChIInChI=1S/C10H11F5N2S/c11-8(12)6-1-3-17(4-2-6)9-16-7(5-18-9)10(13,14)15/h5-6,8H,1-4H2
InChIKeyZVAMPDBLFHDHAP-UHFFFAOYSA-N
XLogP3.64
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.27
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-[4-(difluoromethyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-thiazole (CID 166602194) is 2-[4-(difluoromethyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-[4-(difluoromethyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-[4-(difluoromethyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-thiazole is FC(F)C1CCN(c2nc(C(F)(F)F)cs2)CC1.
What is the InChIKey of 2-[4-(difluoromethyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is ZVAMPDBLFHDHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F5N2S/c11-8(12)6-1-3-17(4-2-6)9-16-7(5-18-9)10(13,14)15/h5-6,8H,1-4H2.
What are the key properties of 2-[4-(difluoromethyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-thiazole?
2-[4-(difluoromethyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 286.27 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 166602194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).