3-cyclopropyl-5-[1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole

C14H20N6OS — CID 71996537

IUPAC3-cyclopropyl-5-[1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
SMILESCc1nsc(N2CCN(C(C)c3nc(C4CC4)no3)CC2)n1
InChIInChI=1S/C14H20N6OS/c1-9(13-16-12(17-21-13)11-3-4-11)19-5-7-20(8-6-19)14-15-10(2)18-22-14/h9,11H,3-8H2,1-2H3
InChIKeyLTSNYNNZVGUBAC-UHFFFAOYSA-N
MW320.42 g/mol
LogP1.99
Rot. Bonds4

About 3-cyclopropyl-5-[1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole

3-cyclopropyl-5-[1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole (PubChem CID 71996537) has the molecular formula C14H20N6OS and a molecular weight of 320.42 g/mol. Its IUPAC name is 3-cyclopropyl-5-[1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
PubChem CID71996537
Molecular FormulaC14H20N6OS
Molecular Weight320.42 g/mol
Exact Mass320.14
IUPAC Name3-cyclopropyl-5-[1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
SMILESCc1nsc(N2CCN(C(C)c3nc(C4CC4)no3)CC2)n1
InChIInChI=1S/C14H20N6OS/c1-9(13-16-12(17-21-13)11-3-4-11)19-5-7-20(8-6-19)14-15-10(2)18-22-14/h9,11H,3-8H2,1-2H3
InChIKeyLTSNYNNZVGUBAC-UHFFFAOYSA-N
XLogP1.99
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-cyclopropyl-5-[1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-[1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole (CID 71996537) is 3-cyclopropyl-5-[1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-[1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole is Cc1nsc(N2CCN(C(C)c3nc(C4CC4)no3)CC2)n1.
What is the InChIKey of 3-cyclopropyl-5-[1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
The InChIKey is LTSNYNNZVGUBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6OS/c1-9(13-16-12(17-21-13)11-3-4-11)19-5-7-20(8-6-19)14-15-10(2)18-22-14/h9,11H,3-8H2,1-2H3.
What are the key properties of 3-cyclopropyl-5-[1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
3-cyclopropyl-5-[1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole has a molecular weight of 320.42 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[1-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 71996537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).