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

C19H19N3O3S — CID 30864190

IUPAC1-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1CCC(c2nnc(-c3ccco3)s2)CC1
InChIInChI=1S/C19H19N3O3S/c23-17(13-25-15-5-2-1-3-6-15)22-10-8-14(9-11-22)18-20-21-19(26-18)16-7-4-12-24-16/h1-7,12,14H,8-11,13H2
InChIKeyFBSNXDKWBCSBJI-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.58
Rot. Bonds5

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

1-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-2-phenoxyethanone (PubChem CID 30864190) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is 1-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-2-phenoxyethanone
PubChem CID30864190
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name1-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1CCC(c2nnc(-c3ccco3)s2)CC1
InChIInChI=1S/C19H19N3O3S/c23-17(13-25-15-5-2-1-3-6-15)22-10-8-14(9-11-22)18-20-21-19(26-18)16-7-4-12-24-16/h1-7,12,14H,8-11,13H2
InChIKeyFBSNXDKWBCSBJI-UHFFFAOYSA-N
XLogP3.58
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-2-phenoxyethanone?
The IUPAC name of 1-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-2-phenoxyethanone (CID 30864190) is 1-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-2-phenoxyethanone is O=C(COc1ccccc1)N1CCC(c2nnc(-c3ccco3)s2)CC1.
What is the InChIKey of 1-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-2-phenoxyethanone?
The InChIKey is FBSNXDKWBCSBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c23-17(13-25-15-5-2-1-3-6-15)22-10-8-14(9-11-22)18-20-21-19(26-18)16-7-4-12-24-16/h1-7,12,14H,8-11,13H2.
What are the key properties of 1-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-2-phenoxyethanone?
1-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-2-phenoxyethanone has a molecular weight of 369.45 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-2-phenoxyethanone is sourced from PubChem (CID 30864190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).