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

C13H15N3O2S — CID 30864160

IUPAC1-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2nnc(-c3ccco3)s2)CC1
InChIInChI=1S/C13H15N3O2S/c1-9(17)16-6-4-10(5-7-16)12-14-15-13(19-12)11-3-2-8-18-11/h2-3,8,10H,4-7H2,1H3
InChIKeyHNQQMDOPMJXCDF-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.52
Rot. Bonds2

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

1-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]ethanone (PubChem CID 30864160) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 1-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]ethanone
PubChem CID30864160
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name1-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2nnc(-c3ccco3)s2)CC1
InChIInChI=1S/C13H15N3O2S/c1-9(17)16-6-4-10(5-7-16)12-14-15-13(19-12)11-3-2-8-18-11/h2-3,8,10H,4-7H2,1H3
InChIKeyHNQQMDOPMJXCDF-UHFFFAOYSA-N
XLogP2.52
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-Furyl)-1,3,4-oxadiazol-2-yl 3-(4-morpholinyl)-3-oxopropyl sulfide
CID 851240
2-[[5-(Furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-piperidin-1-ylethanone
CID 851245
1-(3,5-Dimethylpiperidin-1-yl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 5032599
2-[[5-(Furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-methylpiperidin-1-yl)ethanone
CID 2084549
(4-(5-(Furan-2-yl)-1,3,4-thiadiazol-2-yl)piperidin-1-yl)(3-(trifluoromethyl)phenyl)methanone
CID 30864174
(2,4-Difluorophenyl)(4-(5-(furan-2-yl)-1,3,4-thiadiazol-2-yl)piperidin-1-yl)methanone
CID 30864184
(3,4-Difluorophenyl)(4-(5-(furan-2-yl)-1,3,4-thiadiazol-2-yl)piperidin-1-yl)methanone
CID 30864187
(4-(5-(Furan-2-yl)-1,3,4-thiadiazol-2-yl)piperidin-1-yl)(2-(trifluoromethyl)phenyl)methanone
CID 30864192
N-(4-fluorobenzyl)-4-(5-(furan-2-yl)-1,3,4-thiadiazol-2-yl)piperidine-1-carboxamide
CID 30864365
2-(Cyclopentylthio)-1-(4-(5-(furan-2-yl)-1,3,4-oxadiazol-2-yl)piperidin-1-yl)ethanone
CID 45540425
(4-(5-Ethyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl)(furan-2-yl)methanone
CID 30864081
Cyclopropyl(4-(5-(furan-2-yl)-1,3,4-thiadiazol-2-yl)piperidin-1-yl)methanone
CID 30864163

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]ethanone (CID 30864160) is 1-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]ethanone is CC(=O)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]ethanone?
The InChIKey is HNQQMDOPMJXCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-9(17)16-6-4-10(5-7-16)12-14-15-13(19-12)11-3-2-8-18-11/h2-3,8,10H,4-7H2,1H3.
What are the key properties of 1-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]ethanone?
1-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]ethanone has a molecular weight of 277.35 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 5 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]ethanone is sourced from PubChem (CID 30864160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).