5-methyl-N-(6-phenyl-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)-1,2-oxazole-3-carboxamide

C20H20N6O2S — CID 53206327

IUPAC5-methyl-N-(6-phenyl-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2c(-c3ccccc3)nc3sc(N4CCCCC4)nn23)no1
InChIInChI=1S/C20H20N6O2S/c1-13-12-15(24-28-13)18(27)22-17-16(14-8-4-2-5-9-14)21-19-26(17)23-20(29-19)25-10-6-3-7-11-25/h2,4-5,8-9,12H,3,6-7,10-11H2,1H3,(H,22,27)
InChIKeyZEZMXGFKBVPEMD-UHFFFAOYSA-N
MW408.49 g/mol
LogP4.00
Rot. Bonds4

About 5-methyl-N-(6-phenyl-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)-1,2-oxazole-3-carboxamide

5-methyl-N-(6-phenyl-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)-1,2-oxazole-3-carboxamide (PubChem CID 53206327) has the molecular formula C20H20N6O2S and a molecular weight of 408.49 g/mol. Its IUPAC name is 5-methyl-N-(6-phenyl-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(6-phenyl-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)-1,2-oxazole-3-carboxamide
PubChem CID53206327
Molecular FormulaC20H20N6O2S
Molecular Weight408.49 g/mol
Exact Mass408.14
IUPAC Name5-methyl-N-(6-phenyl-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2c(-c3ccccc3)nc3sc(N4CCCCC4)nn23)no1
InChIInChI=1S/C20H20N6O2S/c1-13-12-15(24-28-13)18(27)22-17-16(14-8-4-2-5-9-14)21-19-26(17)23-20(29-19)25-10-6-3-7-11-25/h2,4-5,8-9,12H,3,6-7,10-11H2,1H3,(H,22,27)
InChIKeyZEZMXGFKBVPEMD-UHFFFAOYSA-N
XLogP4.00
TPSA88.56 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.49
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(6-phenyl-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)propanamide
CID 53206321
N-(6-phenyl-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)thiophene-2-carboxamide
CID 53206328
N-[6-(4-methylphenyl)-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyrazine-2-carboxamide
CID 53206338
2-methyl-N-[6-(3-methylphenyl)-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]pyrazole-3-carboxamide
CID 53206353
6-phenyl-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-amine
CID 158163312
N-[6-(3-fluorophenyl)-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]butanamide
CID 53206366
5-methyl-N-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-1,2-oxazole-3-carboxamide
CID 60520237
4-[5-(tert-butylamino)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-phenylpiperazine-1-carboxamide
CID 50825542
4-[5-(tert-butylamino)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]-N-(3-methylphenyl)piperazine-1-carboxamide
CID 50825558
ethyl N-[5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-4-phenyl-1,3-thiazol-2-yl]carbamate
CID 121065632
N-tert-butyl-2-(4-cyclohexylpiperazin-1-yl)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-amine
CID 50825881
1-[4-[5-(cyclopentylamino)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]propan-1-one
CID 50825709

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(6-phenyl-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-(6-phenyl-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)-1,2-oxazole-3-carboxamide (CID 53206327) is 5-methyl-N-(6-phenyl-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-(6-phenyl-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-(6-phenyl-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)Nc2c(-c3ccccc3)nc3sc(N4CCCCC4)nn23)no1.
What is the InChIKey of 5-methyl-N-(6-phenyl-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is ZEZMXGFKBVPEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2S/c1-13-12-15(24-28-13)18(27)22-17-16(14-8-4-2-5-9-14)21-19-26(17)23-20(29-19)25-10-6-3-7-11-25/h2,4-5,8-9,12H,3,6-7,10-11H2,1H3,(H,22,27).
What are the key properties of 5-methyl-N-(6-phenyl-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)-1,2-oxazole-3-carboxamide?
5-methyl-N-(6-phenyl-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 408.49 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(6-phenyl-2-piperidin-1-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 53206327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).