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

C16H15N3O3S — CID 30864166

IUPACfuran-2-yl-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCC(c2nnc(-c3ccco3)s2)CC1
InChIInChI=1S/C16H15N3O3S/c20-16(13-4-2-10-22-13)19-7-5-11(6-8-19)14-17-18-15(23-14)12-3-1-9-21-12/h1-4,9-11H,5-8H2
InChIKeyASFFNYQKGHYWGX-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.41
Rot. Bonds3

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

furan-2-yl-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]methanone (PubChem CID 30864166) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is furan-2-yl-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]methanone
PubChem CID30864166
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC Namefuran-2-yl-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCC(c2nnc(-c3ccco3)s2)CC1
InChIInChI=1S/C16H15N3O3S/c20-16(13-4-2-10-22-13)19-7-5-11(6-8-19)14-17-18-15(23-14)12-3-1-9-21-12/h1-4,9-11H,5-8H2
InChIKeyASFFNYQKGHYWGX-UHFFFAOYSA-N
XLogP3.41
TPSA72.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]methanone (CID 30864166) is furan-2-yl-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]methanone is O=C(c1ccco1)N1CCC(c2nnc(-c3ccco3)s2)CC1.
What is the InChIKey of furan-2-yl-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is ASFFNYQKGHYWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c20-16(13-4-2-10-22-13)19-7-5-11(6-8-19)14-17-18-15(23-14)12-3-1-9-21-12/h1-4,9-11H,5-8H2.
What are the key properties of furan-2-yl-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]methanone?
furan-2-yl-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 329.38 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 30864166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).