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

C14H13F3N2O2S — CID 56811264

IUPAC[2-(furan-2-yl)-1,3-thiazol-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(c1csc(-c2ccco2)n1)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H13F3N2O2S/c15-14(16,17)9-3-1-5-19(7-9)13(20)10-8-22-12(18-10)11-4-2-6-21-11/h2,4,6,8-9H,1,3,5,7H2
InChIKeyOQHKZKIJUAENHB-UHFFFAOYSA-N
MW330.33 g/mol
LogP3.82
Rot. Bonds2

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

[2-(furan-2-yl)-1,3-thiazol-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 56811264) has the molecular formula C14H13F3N2O2S and a molecular weight of 330.33 g/mol. Its IUPAC name is [2-(furan-2-yl)-1,3-thiazol-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(furan-2-yl)-1,3-thiazol-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID56811264
Molecular FormulaC14H13F3N2O2S
Molecular Weight330.33 g/mol
Exact Mass330.06
IUPAC Name[2-(furan-2-yl)-1,3-thiazol-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(c1csc(-c2ccco2)n1)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H13F3N2O2S/c15-14(16,17)9-3-1-5-19(7-9)13(20)10-8-22-12(18-10)11-4-2-6-21-11/h2,4,6,8-9H,1,3,5,7H2
InChIKeyOQHKZKIJUAENHB-UHFFFAOYSA-N
XLogP3.82
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(furan-2-yl)-1,3-thiazol-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 36708255
(2-phenyl-1,3-thiazol-4-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 40856160
[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 95591962
[2-(furan-2-yl)-1,3-thiazol-5-yl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 95314942
[2-(furan-2-yl)-1,3-thiazol-4-yl]-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone
CID 95606751
[2-(furan-2-yl)-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
CID 36708538
[2-(furan-2-yl)-1,3-thiazol-4-yl]-[4-[(1S,2S)-2-hydroxycyclopentyl]piperazin-1-yl]methanone
CID 95759229
[2-(furan-2-yl)-1,3-thiazol-4-yl]-(3-phenoxypyrrolidin-1-yl)methanone
CID 56790806
[6-(furan-2-yl)-2-methyl-3-pyridinyl]-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 95296331
[2-(furan-2-yl)-1,3-thiazol-4-yl]-piperazin-1-ylmethanone
CID 82515785
furan-2-yl-[4-[2-(furan-2-yl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]methanone
CID 38909287
(2-cyclopentylpyrrolidin-1-yl)-[2-(furan-2-yl)-1,3-thiazol-4-yl]methanone
CID 87032302

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-yl)-1,3-thiazol-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of [2-(furan-2-yl)-1,3-thiazol-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone (CID 56811264) is [2-(furan-2-yl)-1,3-thiazol-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [2-(furan-2-yl)-1,3-thiazol-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for [2-(furan-2-yl)-1,3-thiazol-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone is O=C(c1csc(-c2ccco2)n1)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of [2-(furan-2-yl)-1,3-thiazol-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is OQHKZKIJUAENHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O2S/c15-14(16,17)9-3-1-5-19(7-9)13(20)10-8-22-12(18-10)11-4-2-6-21-11/h2,4,6,8-9H,1,3,5,7H2.
What are the key properties of [2-(furan-2-yl)-1,3-thiazol-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone?
[2-(furan-2-yl)-1,3-thiazol-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 330.33 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-yl)-1,3-thiazol-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 56811264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).