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

C18H24N6OS — CID 128699936

IUPAC3-[[4-[(3-cyclopropyl-6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(CN2CCN(Cc3c(C)nc4scc(C5CC5)n34)CC2)no1
InChIInChI=1S/C18H24N6OS/c1-12-15(24-16(14-3-4-14)11-26-18(24)19-12)9-22-5-7-23(8-6-22)10-17-20-13(2)25-21-17/h11,14H,3-10H2,1-2H3
InChIKeyJMVVOSVOPSDUFG-UHFFFAOYSA-N
MW372.50 g/mol
LogP2.59
Rot. Bonds5

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

3-[[4-[(3-cyclopropyl-6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole (PubChem CID 128699936) has the molecular formula C18H24N6OS and a molecular weight of 372.50 g/mol. Its IUPAC name is 3-[[4-[(3-cyclopropyl-6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[[4-[(3-cyclopropyl-6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole
PubChem CID128699936
Molecular FormulaC18H24N6OS
Molecular Weight372.50 g/mol
Exact Mass372.17
IUPAC Name3-[[4-[(3-cyclopropyl-6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(CN2CCN(Cc3c(C)nc4scc(C5CC5)n34)CC2)no1
InChIInChI=1S/C18H24N6OS/c1-12-15(24-16(14-3-4-14)11-26-18(24)19-12)9-22-5-7-23(8-6-22)10-17-20-13(2)25-21-17/h11,14H,3-10H2,1-2H3
InChIKeyJMVVOSVOPSDUFG-UHFFFAOYSA-N
XLogP2.59
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.50
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-[[4-[(3-cyclopropyl-6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(3-cyclopropyl-6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole?
The IUPAC name of 3-[[4-[(3-cyclopropyl-6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole (CID 128699936) is 3-[[4-[(3-cyclopropyl-6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[[4-[(3-cyclopropyl-6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[[4-[(3-cyclopropyl-6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole is Cc1nc(CN2CCN(Cc3c(C)nc4scc(C5CC5)n34)CC2)no1.
What is the InChIKey of 3-[[4-[(3-cyclopropyl-6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole?
The InChIKey is JMVVOSVOPSDUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6OS/c1-12-15(24-16(14-3-4-14)11-26-18(24)19-12)9-22-5-7-23(8-6-22)10-17-20-13(2)25-21-17/h11,14H,3-10H2,1-2H3.
What are the key properties of 3-[[4-[(3-cyclopropyl-6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole?
3-[[4-[(3-cyclopropyl-6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole has a molecular weight of 372.50 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(3-cyclopropyl-6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 128699936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).