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

C15H17N3O2S — CID 30864163

IUPACcyclopropyl-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCC(c2nnc(-c3ccco3)s2)CC1
InChIInChI=1S/C15H17N3O2S/c19-15(11-3-4-11)18-7-5-10(6-8-18)13-16-17-14(21-13)12-2-1-9-20-12/h1-2,9-11H,3-8H2
InChIKeyRIASUMPUTKLCDP-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.91
Rot. Bonds3

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

cyclopropyl-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]methanone (PubChem CID 30864163) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is cyclopropyl-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]methanone
PubChem CID30864163
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Namecyclopropyl-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]methanone
SMILESO=C(C1CC1)N1CCC(c2nnc(-c3ccco3)s2)CC1
InChIInChI=1S/C15H17N3O2S/c19-15(11-3-4-11)18-7-5-10(6-8-18)13-16-17-14(21-13)12-2-1-9-20-12/h1-2,9-11H,3-8H2
InChIKeyRIASUMPUTKLCDP-UHFFFAOYSA-N
XLogP2.91
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
1-{4-[5-(2-Furyl)-1,3,4-thiadiazol-2-yl]-1-piperidyl}-1-ethanone
CID 30864160
(2-Furyl){4-[5-(2-furyl)-1,3,4-thiadiazol-2-yl]-1-piperidyl}methanone
CID 30864166
(4-(5-(Furan-2-yl)-1,3,4-thiadiazol-2-yl)piperidin-1-yl)(thiophen-2-yl)methanone
CID 30864171

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]methanone (CID 30864163) is cyclopropyl-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]methanone is O=C(C1CC1)N1CCC(c2nnc(-c3ccco3)s2)CC1.
What is the InChIKey of cyclopropyl-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is RIASUMPUTKLCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c19-15(11-3-4-11)18-7-5-10(6-8-18)13-16-17-14(21-13)12-2-1-9-20-12/h1-2,9-11H,3-8H2.
What are the key properties of cyclopropyl-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]methanone?
cyclopropyl-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 303.39 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 30864163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).