1-[4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one

C24H26N4O2S — CID 18278346

IUPAC1-[4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
SMILESCCC1CS/C(=N\c2cccc(C)c2)N1C(=O)CCc1nc(-c2ccc(C)cc2)no1
InChIInChI=1S/C24H26N4O2S/c1-4-20-15-31-24(25-19-7-5-6-17(3)14-19)28(20)22(29)13-12-21-26-23(27-30-21)18-10-8-16(2)9-11-18/h5-11,14,20H,4,12-13,15H2,1-3H3/b25-24-
InChIKeyOCIHYRVAESAHDT-IZHYLOQSSA-N
MW434.57 g/mol
LogP5.33
Rot. Bonds6

About 1-[4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one

1-[4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one (PubChem CID 18278346) has the molecular formula C24H26N4O2S and a molecular weight of 434.57 g/mol. Its IUPAC name is 1-[4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
PubChem CID18278346
Molecular FormulaC24H26N4O2S
Molecular Weight434.57 g/mol
Exact Mass434.18
IUPAC Name1-[4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
SMILESCCC1CS/C(=N\c2cccc(C)c2)N1C(=O)CCc1nc(-c2ccc(C)cc2)no1
InChIInChI=1S/C24H26N4O2S/c1-4-20-15-31-24(25-19-7-5-6-17(3)14-19)28(20)22(29)13-12-21-26-23(27-30-21)18-10-8-16(2)9-11-18/h5-11,14,20H,4,12-13,15H2,1-3H3/b25-24-
InChIKeyOCIHYRVAESAHDT-IZHYLOQSSA-N
XLogP5.33
TPSA71.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.57
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-(1,3-benzodioxol-5-yl)-1-[4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]propan-1-one
CID 18287605
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CID 7915910
4-[(4S)-4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidine-3-carbonyl]benzonitrile
CID 8780937
3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-[(2S)-2-methylpiperidin-1-yl]propan-1-one
CID 2013100
3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]propan-1-one
CID 95764797
1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 17413481
1-(2-methyl-2,3-dihydroindol-1-yl)-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 133244433
1-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 134042328
3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-[3-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one
CID 119065733
1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 24501910
3-methyl-8-[3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 46978257
1-[4-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]piperazin-1-yl]butan-1-one
CID 55621672

Frequently Asked Questions

What is the IUPAC name of 1-[4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one?
The IUPAC name of 1-[4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one (CID 18278346) is 1-[4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one.
What is the SMILES notation for 1-[4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one?
The canonical SMILES for 1-[4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one is CCC1CS/C(=N\c2cccc(C)c2)N1C(=O)CCc1nc(-c2ccc(C)cc2)no1.
What is the InChIKey of 1-[4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one?
The InChIKey is OCIHYRVAESAHDT-IZHYLOQSSA-N. The full InChI is InChI=1S/C24H26N4O2S/c1-4-20-15-31-24(25-19-7-5-6-17(3)14-19)28(20)22(29)13-12-21-26-23(27-30-21)18-10-8-16(2)9-11-18/h5-11,14,20H,4,12-13,15H2,1-3H3/b25-24-.
What are the key properties of 1-[4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one?
1-[4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one has a molecular weight of 434.57 g/mol, XLogP of 5.33, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-ethyl-2-(3-methylphenyl)imino-1,3-thiazolidin-3-yl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one is sourced from PubChem (CID 18278346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).