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

C14H18N6OS — CID 56811788

IUPAC5-methyl-3-[[4-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]methyl]-1,2-oxazole
SMILESCc1cn2nc(N3CCN(Cc4cc(C)on4)CC3)sc2n1
InChIInChI=1S/C14H18N6OS/c1-10-8-20-13(15-10)22-14(16-20)19-5-3-18(4-6-19)9-12-7-11(2)21-17-12/h7-8H,3-6,9H2,1-2H3
InChIKeyNJPOKBHKGDMWLT-UHFFFAOYSA-N
MW318.41 g/mol
LogP1.72
Rot. Bonds3

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

5-methyl-3-[[4-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]methyl]-1,2-oxazole (PubChem CID 56811788) has the molecular formula C14H18N6OS and a molecular weight of 318.41 g/mol. Its IUPAC name is 5-methyl-3-[[4-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-[[4-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]methyl]-1,2-oxazole
PubChem CID56811788
Molecular FormulaC14H18N6OS
Molecular Weight318.41 g/mol
Exact Mass318.13
IUPAC Name5-methyl-3-[[4-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]methyl]-1,2-oxazole
SMILESCc1cn2nc(N3CCN(Cc4cc(C)on4)CC3)sc2n1
InChIInChI=1S/C14H18N6OS/c1-10-8-20-13(15-10)22-14(16-20)19-5-3-18(4-6-19)9-12-7-11(2)21-17-12/h7-8H,3-6,9H2,1-2H3
InChIKeyNJPOKBHKGDMWLT-UHFFFAOYSA-N
XLogP1.72
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[[4-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 5-methyl-3-[[4-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]methyl]-1,2-oxazole (CID 56811788) is 5-methyl-3-[[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 5-methyl-3-[[4-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 5-methyl-3-[[4-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]methyl]-1,2-oxazole is Cc1cn2nc(N3CCN(Cc4cc(C)on4)CC3)sc2n1.
What is the InChIKey of 5-methyl-3-[[4-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]methyl]-1,2-oxazole?
The InChIKey is NJPOKBHKGDMWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6OS/c1-10-8-20-13(15-10)22-14(16-20)19-5-3-18(4-6-19)9-12-7-11(2)21-17-12/h7-8H,3-6,9H2,1-2H3.
What are the key properties of 5-methyl-3-[[4-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]methyl]-1,2-oxazole?
5-methyl-3-[[4-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]methyl]-1,2-oxazole has a molecular weight of 318.41 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[[4-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 56811788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).