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

C15H20N6OS — CID 95766139

IUPAC3-[(3S)-1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-3-yl]-5-propan-2-yl-1,2,4-oxadiazole
SMILESCc1cn2nc(N3CCC[C@H](c4noc(C(C)C)n4)C3)sc2n1
InChIInChI=1S/C15H20N6OS/c1-9(2)13-17-12(19-22-13)11-5-4-6-20(8-11)15-18-21-7-10(3)16-14(21)23-15/h7,9,11H,4-6,8H2,1-3H3/t11-/m0/s1
InChIKeyVRXYXGHCANMEEQ-NSHDSACASA-N
MW332.43 g/mol
LogP2.99
Rot. Bonds3

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

3-[(3S)-1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-3-yl]-5-propan-2-yl-1,2,4-oxadiazole (PubChem CID 95766139) has the molecular formula C15H20N6OS and a molecular weight of 332.43 g/mol. Its IUPAC name is 3-[(3S)-1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-3-yl]-5-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(3S)-1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-3-yl]-5-propan-2-yl-1,2,4-oxadiazole
PubChem CID95766139
Molecular FormulaC15H20N6OS
Molecular Weight332.43 g/mol
Exact Mass332.14
IUPAC Name3-[(3S)-1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-3-yl]-5-propan-2-yl-1,2,4-oxadiazole
SMILESCc1cn2nc(N3CCC[C@H](c4noc(C(C)C)n4)C3)sc2n1
InChIInChI=1S/C15H20N6OS/c1-9(2)13-17-12(19-22-13)11-5-4-6-20(8-11)15-18-21-7-10(3)16-14(21)23-15/h7,9,11H,4-6,8H2,1-3H3/t11-/m0/s1
InChIKeyVRXYXGHCANMEEQ-NSHDSACASA-N
XLogP2.99
TPSA72.35 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 ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-[(3S)-1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-3-yl]-5-propan-2-yl-1,2,4-oxadiazole with MolForge

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Related Compounds

3-[1-(5-phenyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]-5-propan-2-yl-1,2,4-oxadiazole
CID 127365253
5,6-dimethyl-3-[(3R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]pyridazine-4-carbonitrile
CID 95766144
5-chloro-6-[(3R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]pyridine-3-carboxamide
CID 95763138
1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)pyrrolidine-3-carboxylic acid
CID 120964000
2-methoxy-6-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 154800956
(2-methyl-1H-imidazol-5-yl)-[(3R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95765310
3-ethyl-5-[(1S)-1-[4-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95283702
3-ethyl-5-[(1R)-1-[4-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95283701
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
(2S)-1-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-thiophen-3-ylpropan-1-one
CID 95773712
furan-2-yl-[(3R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95734780
4-(2-methylimidazol-1-yl)-1-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]butan-1-one
CID 95734906

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-3-yl]-5-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-[(3S)-1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-3-yl]-5-propan-2-yl-1,2,4-oxadiazole (CID 95766139) is 3-[(3S)-1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-3-yl]-5-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(3S)-1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-3-yl]-5-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-[(3S)-1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-3-yl]-5-propan-2-yl-1,2,4-oxadiazole is Cc1cn2nc(N3CCC[C@H](c4noc(C(C)C)n4)C3)sc2n1.
What is the InChIKey of 3-[(3S)-1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-3-yl]-5-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is VRXYXGHCANMEEQ-NSHDSACASA-N. The full InChI is InChI=1S/C15H20N6OS/c1-9(2)13-17-12(19-22-13)11-5-4-6-20(8-11)15-18-21-7-10(3)16-14(21)23-15/h7,9,11H,4-6,8H2,1-3H3/t11-/m0/s1.
What are the key properties of 3-[(3S)-1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-3-yl]-5-propan-2-yl-1,2,4-oxadiazole?
3-[(3S)-1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-3-yl]-5-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 332.43 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-1-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)piperidin-3-yl]-5-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 95766139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).