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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Related Compounds

1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-amine
CID 69066579
4-methyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-ol
CID 133446751
2-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-thiazole
CID 133396170
N-cyclopropyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 163348930
2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-thiazole
CID 133365893
1-[[(3R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-yl]methyl]piperidine-3,4,5-triol
CID 157039074
6-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine
CID 133383794
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]ethanone
CID 172880827
2-[4-(2-ethoxyphenyl)piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole
CID 133365976
trans-(1R,2R)-2-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 167872607
2-[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole
CID 155980603
2-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole
CID 171701843

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).