3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-1-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]propan-1-one

C22H22N6O2S — CID 56551504

IUPAC3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-1-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]propan-1-one
SMILESCc1ccc(-c2nnc(CCC(=O)N3CCN(c4nc5cccnc5s4)CC3)o2)cc1
InChIInChI=1S/C22H22N6O2S/c1-15-4-6-16(7-5-15)20-26-25-18(30-20)8-9-19(29)27-11-13-28(14-12-27)22-24-17-3-2-10-23-21(17)31-22/h2-7,10H,8-9,11-14H2,1H3
InChIKeyIFHMOAOSINBXNK-UHFFFAOYSA-N
MW434.53 g/mol
LogP3.33
Rot. Bonds5

About 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-1-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]propan-1-one

3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-1-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]propan-1-one (PubChem CID 56551504) has the molecular formula C22H22N6O2S and a molecular weight of 434.53 g/mol. Its IUPAC name is 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-1-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-1-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]propan-1-one
PubChem CID56551504
Molecular FormulaC22H22N6O2S
Molecular Weight434.53 g/mol
Exact Mass434.15
IUPAC Name3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-1-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]propan-1-one
SMILESCc1ccc(-c2nnc(CCC(=O)N3CCN(c4nc5cccnc5s4)CC3)o2)cc1
InChIInChI=1S/C22H22N6O2S/c1-15-4-6-16(7-5-15)20-26-25-18(30-20)8-9-19(29)27-11-13-28(14-12-27)22-24-17-3-2-10-23-21(17)31-22/h2-7,10H,8-9,11-14H2,1H3
InChIKeyIFHMOAOSINBXNK-UHFFFAOYSA-N
XLogP3.33
TPSA88.25 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.53
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-1-[4-(2-pyridin-2-ylacetyl)piperazin-1-yl]propan-1-one
CID 56521156
3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 51263196
1-[4-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propan-1-one
CID 86951128
N-(2,6-dimethylphenyl)-4-oxo-4-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]butanamide
CID 53084515
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 51217103
1-(4-acetylpiperazin-1-yl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 51218726
1-(4-chlorophenyl)-4-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]butane-1,4-dione
CID 56579280
1-(4-cyclohexylpiperazin-1-yl)-4-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]butane-1,4-dione
CID 53084531
N-(2,3-dimethylphenyl)-4-oxo-4-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]butanamide
CID 53084514
3-(4-chlorophenyl)sulfanyl-1-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]propan-1-one
CID 56535604
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)-1,4-diazepan-1-yl]butane-1,4-dione
CID 53111734
1-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propan-1-one
CID 86905277

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-1-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-1-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]propan-1-one (CID 56551504) is 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-1-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-1-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-1-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]propan-1-one is Cc1ccc(-c2nnc(CCC(=O)N3CCN(c4nc5cccnc5s4)CC3)o2)cc1.
What is the InChIKey of 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-1-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]propan-1-one?
The InChIKey is IFHMOAOSINBXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2S/c1-15-4-6-16(7-5-15)20-26-25-18(30-20)8-9-19(29)27-11-13-28(14-12-27)22-24-17-3-2-10-23-21(17)31-22/h2-7,10H,8-9,11-14H2,1H3.
What are the key properties of 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-1-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]propan-1-one?
3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-1-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]propan-1-one has a molecular weight of 434.53 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-1-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 56551504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).