[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone

C19H16F3N3O2S — CID 30864174

IUPAC[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)N1CCC(c2nnc(-c3ccco3)s2)CC1
InChIInChI=1S/C19H16F3N3O2S/c20-19(21,22)14-4-1-3-13(11-14)18(26)25-8-6-12(7-9-25)16-23-24-17(28-16)15-5-2-10-27-15/h1-5,10-12H,6-9H2
InChIKeyUWTIGQFLXNGMEP-UHFFFAOYSA-N
MW407.42 g/mol
LogP4.84
Rot. Bonds3

About [4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone

[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 30864174) has the molecular formula C19H16F3N3O2S and a molecular weight of 407.42 g/mol. Its IUPAC name is [4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
PubChem CID30864174
Molecular FormulaC19H16F3N3O2S
Molecular Weight407.42 g/mol
Exact Mass407.09
IUPAC Name[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1cccc(C(F)(F)F)c1)N1CCC(c2nnc(-c3ccco3)s2)CC1
InChIInChI=1S/C19H16F3N3O2S/c20-19(21,22)14-4-1-3-13(11-14)18(26)25-8-6-12(7-9-25)16-23-24-17(28-16)15-5-2-10-27-15/h1-5,10-12H,6-9H2
InChIKeyUWTIGQFLXNGMEP-UHFFFAOYSA-N
XLogP4.84
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.42
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone (CID 30864174) is [4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone is O=C(c1cccc(C(F)(F)F)c1)N1CCC(c2nnc(-c3ccco3)s2)CC1.
What is the InChIKey of [4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is UWTIGQFLXNGMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O2S/c20-19(21,22)14-4-1-3-13(11-14)18(26)25-8-6-12(7-9-25)16-23-24-17(28-16)15-5-2-10-27-15/h1-5,10-12H,6-9H2.
What are the key properties of [4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 407.42 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 30864174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).