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

C15H21N7OS — CID 56821483

IUPAC5-[[4-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCc1cn2nc(N3CCN(Cc4nc(C(C)C)no4)CC3)sc2n1
InChIInChI=1S/C15H21N7OS/c1-10(2)13-17-12(23-19-13)9-20-4-6-21(7-5-20)15-18-22-8-11(3)16-14(22)24-15/h8,10H,4-7,9H2,1-3H3
InChIKeyZJVQQXIAFSWRKL-UHFFFAOYSA-N
MW347.45 g/mol
LogP1.93
Rot. Bonds4

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

5-[[4-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 56821483) has the molecular formula C15H21N7OS and a molecular weight of 347.45 g/mol. Its IUPAC name is 5-[[4-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[4-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID56821483
Molecular FormulaC15H21N7OS
Molecular Weight347.45 g/mol
Exact Mass347.15
IUPAC Name5-[[4-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCc1cn2nc(N3CCN(Cc4nc(C(C)C)no4)CC3)sc2n1
InChIInChI=1S/C15H21N7OS/c1-10(2)13-17-12(23-19-13)9-20-4-6-21(7-5-20)15-18-22-8-11(3)16-14(22)24-15/h8,10H,4-7,9H2,1-3H3
InChIKeyZJVQQXIAFSWRKL-UHFFFAOYSA-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 5-[[4-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[[4-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole (CID 56821483) is 5-[[4-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[4-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[[4-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole is Cc1cn2nc(N3CCN(Cc4nc(C(C)C)no4)CC3)sc2n1.
What is the InChIKey of 5-[[4-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is ZJVQQXIAFSWRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7OS/c1-10(2)13-17-12(23-19-13)9-20-4-6-21(7-5-20)15-18-22-8-11(3)16-14(22)24-15/h8,10H,4-7,9H2,1-3H3.
What are the key properties of 5-[[4-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole?
5-[[4-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]methyl]-3-propan-2-yl-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 5-[[4-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 56821483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).