3-ethyl-5-[(1S)-1-[4-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole

C15H21N7OS — CID 95283702

IUPAC3-ethyl-5-[(1S)-1-[4-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
SMILESCCc1noc([C@H](C)N2CCN(c3nn4cc(C)nc4s3)CC2)n1
InChIInChI=1S/C15H21N7OS/c1-4-12-17-13(23-19-12)11(3)20-5-7-21(8-6-20)15-18-22-9-10(2)16-14(22)24-15/h9,11H,4-8H2,1-3H3/t11-/m0/s1
InChIKeyZHWLVIWGMSDRIJ-NSHDSACASA-N
MW347.45 g/mol
LogP1.93
Rot. Bonds4

About 3-ethyl-5-[(1S)-1-[4-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole

3-ethyl-5-[(1S)-1-[4-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole (PubChem CID 95283702) has the molecular formula C15H21N7OS and a molecular weight of 347.45 g/mol. Its IUPAC name is 3-ethyl-5-[(1S)-1-[4-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-ethyl-5-[(1S)-1-[4-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
PubChem CID95283702
Molecular FormulaC15H21N7OS
Molecular Weight347.45 g/mol
Exact Mass347.15
IUPAC Name3-ethyl-5-[(1S)-1-[4-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
SMILESCCc1noc([C@H](C)N2CCN(c3nn4cc(C)nc4s3)CC2)n1
InChIInChI=1S/C15H21N7OS/c1-4-12-17-13(23-19-12)11(3)20-5-7-21(8-6-20)15-18-22-9-10(2)16-14(22)24-15/h9,11H,4-8H2,1-3H3/t11-/m0/s1
InChIKeyZHWLVIWGMSDRIJ-NSHDSACASA-N
XLogP1.93
TPSA75.59 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.45
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 3-ethyl-5-[(1S)-1-[4-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[(1S)-1-[4-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-ethyl-5-[(1S)-1-[4-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole (CID 95283702) is 3-ethyl-5-[(1S)-1-[4-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-ethyl-5-[(1S)-1-[4-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-ethyl-5-[(1S)-1-[4-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole is CCc1noc([C@H](C)N2CCN(c3nn4cc(C)nc4s3)CC2)n1.
What is the InChIKey of 3-ethyl-5-[(1S)-1-[4-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
The InChIKey is ZHWLVIWGMSDRIJ-NSHDSACASA-N. The full InChI is InChI=1S/C15H21N7OS/c1-4-12-17-13(23-19-12)11(3)20-5-7-21(8-6-20)15-18-22-9-10(2)16-14(22)24-15/h9,11H,4-8H2,1-3H3/t11-/m0/s1.
What are the key properties of 3-ethyl-5-[(1S)-1-[4-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
3-ethyl-5-[(1S)-1-[4-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole has a molecular weight of 347.45 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[(1S)-1-[4-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 95283702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).