[2-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazol-4-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone

C17H20F6N2OS — CID 59295474

IUPAC[2-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazol-4-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(c1csc(C2CCC(C(F)(F)F)CC2)n1)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C17H20F6N2OS/c18-16(19,20)11-3-1-10(2-4-11)14-24-13(9-27-14)15(26)25-7-5-12(6-8-25)17(21,22)23/h9-12H,1-8H2
InChIKeyNZDKCAFHLPMDPT-UHFFFAOYSA-N
MW414.42 g/mol
LogP5.39
Rot. Bonds2

About [2-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazol-4-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone

[2-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazol-4-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 59295474) has the molecular formula C17H20F6N2OS and a molecular weight of 414.42 g/mol. Its IUPAC name is [2-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazol-4-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazol-4-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID59295474
Molecular FormulaC17H20F6N2OS
Molecular Weight414.42 g/mol
Exact Mass414.12
IUPAC Name[2-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazol-4-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(c1csc(C2CCC(C(F)(F)F)CC2)n1)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C17H20F6N2OS/c18-16(19,20)11-3-1-10(2-4-11)14-24-13(9-27-14)15(26)25-7-5-12(6-8-25)17(21,22)23/h9-12H,1-8H2
InChIKeyNZDKCAFHLPMDPT-UHFFFAOYSA-N
XLogP5.39
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.42
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazol-4-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of [2-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazol-4-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone (CID 59295474) is [2-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazol-4-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [2-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazol-4-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for [2-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazol-4-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone is O=C(c1csc(C2CCC(C(F)(F)F)CC2)n1)N1CCC(C(F)(F)F)CC1.
What is the InChIKey of [2-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazol-4-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is NZDKCAFHLPMDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F6N2OS/c18-16(19,20)11-3-1-10(2-4-11)14-24-13(9-27-14)15(26)25-7-5-12(6-8-25)17(21,22)23/h9-12H,1-8H2.
What are the key properties of [2-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazol-4-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone?
[2-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazol-4-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 414.42 g/mol, XLogP of 5.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazol-4-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 59295474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).