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

C17H24N6OS — CID 25348259

IUPAC3-[[4-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
SMILESCc1cc(CN2CCN(c3nn4cc(C(C)(C)C)nc4s3)CC2)no1
InChIInChI=1S/C17H24N6OS/c1-12-9-13(20-24-12)10-21-5-7-22(8-6-21)16-19-23-11-14(17(2,3)4)18-15(23)25-16/h9,11H,5-8,10H2,1-4H3
InChIKeyDNFVVPBXBQETPZ-UHFFFAOYSA-N
MW360.49 g/mol
LogP2.71
Rot. Bonds3

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

3-[[4-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole (PubChem CID 25348259) has the molecular formula C17H24N6OS and a molecular weight of 360.49 g/mol. Its IUPAC name is 3-[[4-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[[4-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
PubChem CID25348259
Molecular FormulaC17H24N6OS
Molecular Weight360.49 g/mol
Exact Mass360.17
IUPAC Name3-[[4-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
SMILESCc1cc(CN2CCN(c3nn4cc(C(C)(C)C)nc4s3)CC2)no1
InChIInChI=1S/C17H24N6OS/c1-12-9-13(20-24-12)10-21-5-7-22(8-6-21)16-19-23-11-14(17(2,3)4)18-15(23)25-16/h9,11H,5-8,10H2,1-4H3
InChIKeyDNFVVPBXBQETPZ-UHFFFAOYSA-N
XLogP2.71
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.49
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[[4-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole (CID 25348259) is 3-[[4-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[[4-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[[4-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole is Cc1cc(CN2CCN(c3nn4cc(C(C)(C)C)nc4s3)CC2)no1.
What is the InChIKey of 3-[[4-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole?
The InChIKey is DNFVVPBXBQETPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6OS/c1-12-9-13(20-24-12)10-21-5-7-22(8-6-21)16-19-23-11-14(17(2,3)4)18-15(23)25-16/h9,11H,5-8,10H2,1-4H3.
What are the key properties of 3-[[4-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole?
3-[[4-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole has a molecular weight of 360.49 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 25348259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).