6-methyl-5-[[5-(1-phenylethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3-diazinane-2,4-dione

C16H18N4O3S — CID 74925406

IUPAC6-methyl-5-[[5-(1-phenylethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3-diazinane-2,4-dione
SMILESCC(Sc1nnc(CC2C(=O)NC(=O)NC2C)o1)c1ccccc1
InChIInChI=1S/C16H18N4O3S/c1-9-12(14(21)18-15(22)17-9)8-13-19-20-16(23-13)24-10(2)11-6-4-3-5-7-11/h3-7,9-10,12H,8H2,1-2H3,(H2,17,18,21,22)
InChIKeyUMLFCIGMJKZHDS-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.31
Rot. Bonds5

About 6-methyl-5-[[5-(1-phenylethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3-diazinane-2,4-dione

6-methyl-5-[[5-(1-phenylethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3-diazinane-2,4-dione (PubChem CID 74925406) has the molecular formula C16H18N4O3S and a molecular weight of 346.41 g/mol. Its IUPAC name is 6-methyl-5-[[5-(1-phenylethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name6-methyl-5-[[5-(1-phenylethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3-diazinane-2,4-dione
PubChem CID74925406
Molecular FormulaC16H18N4O3S
Molecular Weight346.41 g/mol
Exact Mass346.11
IUPAC Name6-methyl-5-[[5-(1-phenylethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3-diazinane-2,4-dione
SMILESCC(Sc1nnc(CC2C(=O)NC(=O)NC2C)o1)c1ccccc1
InChIInChI=1S/C16H18N4O3S/c1-9-12(14(21)18-15(22)17-9)8-13-19-20-16(23-13)24-10(2)11-6-4-3-5-7-11/h3-7,9-10,12H,8H2,1-2H3,(H2,17,18,21,22)
InChIKeyUMLFCIGMJKZHDS-UHFFFAOYSA-N
XLogP2.31
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-methyl-5-[[5-(1-phenylethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3-diazinane-2,4-dione with MolForge

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Related Compounds

6-methyl-5-[[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]-1,3-diazinane-2,4-dione
CID 74925412
5-[[5-[(3,4-difluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]-6-methyl-1,3-diazinane-2,4-dione
CID 74925350
N,N-diethyl-2-[[5-[(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 74925330
N-(3,4-dimethoxyphenyl)-2-[[5-[(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 74925313
2-[[5-[(4-methyl-2,6-dioxo-1,3-diazinan-5-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(oxolan-2-ylmethyl)acetamide
CID 74925324
5-[2-[5-(1H-benzimidazol-2-ylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]ethyl]-6-methyl-1,3-diazinane-2,4-dione
CID 74912552
ethyl 5-(1-phenylethylsulfanyl)-1,3,4-oxadiazole-2-carboxylate
CID 116700189
2-phenyl-5-[1-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]-1,3,4-oxadiazole
CID 78807371
2-(3,5-dimethoxyphenyl)-5-[(1R)-1-phenylethyl]sulfanyl-1,3,4-oxadiazole
CID 7683406
2-[[5-[(4-methyl-2,6-dioxo-1-prop-2-enyl-1,3-diazinan-5-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylphenyl)acetamide
CID 74925637
2-(3,4-dimethoxyphenyl)-5-[(1R)-1-phenylethyl]sulfanyl-1,3,4-oxadiazole
CID 9362117
5-(2-amino-1-phenylethyl)imidazolidine-2,4-dione
CID 69398064

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-[[5-(1-phenylethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 6-methyl-5-[[5-(1-phenylethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3-diazinane-2,4-dione (CID 74925406) is 6-methyl-5-[[5-(1-phenylethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 6-methyl-5-[[5-(1-phenylethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 6-methyl-5-[[5-(1-phenylethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3-diazinane-2,4-dione is CC(Sc1nnc(CC2C(=O)NC(=O)NC2C)o1)c1ccccc1.
What is the InChIKey of 6-methyl-5-[[5-(1-phenylethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3-diazinane-2,4-dione?
The InChIKey is UMLFCIGMJKZHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3S/c1-9-12(14(21)18-15(22)17-9)8-13-19-20-16(23-13)24-10(2)11-6-4-3-5-7-11/h3-7,9-10,12H,8H2,1-2H3,(H2,17,18,21,22).
What are the key properties of 6-methyl-5-[[5-(1-phenylethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3-diazinane-2,4-dione?
6-methyl-5-[[5-(1-phenylethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3-diazinane-2,4-dione has a molecular weight of 346.41 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-[[5-(1-phenylethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 74925406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).