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

C15H20N6OS — CID 56815193

IUPAC3,5-dimethyl-4-[[4-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]methyl]-1,2-oxazole
SMILESCc1cn2nc(N3CCN(Cc4c(C)noc4C)CC3)sc2n1
InChIInChI=1S/C15H20N6OS/c1-10-8-21-14(16-10)23-15(17-21)20-6-4-19(5-7-20)9-13-11(2)18-22-12(13)3/h8H,4-7,9H2,1-3H3
InChIKeyVYMDIMUSWBQLIN-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.03
Rot. Bonds3

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

3,5-dimethyl-4-[[4-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]methyl]-1,2-oxazole (PubChem CID 56815193) has the molecular formula C15H20N6OS and a molecular weight of 332.43 g/mol. Its IUPAC name is 3,5-dimethyl-4-[[4-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[[4-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]methyl]-1,2-oxazole
PubChem CID56815193
Molecular FormulaC15H20N6OS
Molecular Weight332.43 g/mol
Exact Mass332.14
IUPAC Name3,5-dimethyl-4-[[4-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]methyl]-1,2-oxazole
SMILESCc1cn2nc(N3CCN(Cc4c(C)noc4C)CC3)sc2n1
InChIInChI=1S/C15H20N6OS/c1-10-8-21-14(16-10)23-15(17-21)20-6-4-19(5-7-20)9-13-11(2)18-22-12(13)3/h8H,4-7,9H2,1-3H3
InChIKeyVYMDIMUSWBQLIN-UHFFFAOYSA-N
XLogP2.03
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[[4-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[[4-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]methyl]-1,2-oxazole (CID 56815193) is 3,5-dimethyl-4-[[4-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[[4-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[[4-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]methyl]-1,2-oxazole is Cc1cn2nc(N3CCN(Cc4c(C)noc4C)CC3)sc2n1.
What is the InChIKey of 3,5-dimethyl-4-[[4-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]methyl]-1,2-oxazole?
The InChIKey is VYMDIMUSWBQLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6OS/c1-10-8-21-14(16-10)23-15(17-21)20-6-4-19(5-7-20)9-13-11(2)18-22-12(13)3/h8H,4-7,9H2,1-3H3.
What are the key properties of 3,5-dimethyl-4-[[4-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]methyl]-1,2-oxazole?
3,5-dimethyl-4-[[4-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]methyl]-1,2-oxazole has a molecular weight of 332.43 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[[4-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 56815193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).