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

C15H14F2N4O3S — CID 74925350

IUPAC5-[[5-[(3,4-difluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]-6-methyl-1,3-diazinane-2,4-dione
SMILESCC1NC(=O)NC(=O)C1Cc1nnc(SCc2ccc(F)c(F)c2)o1
InChIInChI=1S/C15H14F2N4O3S/c1-7-9(13(22)19-14(23)18-7)5-12-20-21-15(24-12)25-6-8-2-3-10(16)11(17)4-8/h2-4,7,9H,5-6H2,1H3,(H2,18,19,22,23)
InChIKeyAMHHDXUOOKXGFG-UHFFFAOYSA-N
MW368.37 g/mol
LogP2.03
Rot. Bonds5

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

5-[[5-[(3,4-difluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]-6-methyl-1,3-diazinane-2,4-dione (PubChem CID 74925350) has the molecular formula C15H14F2N4O3S and a molecular weight of 368.37 g/mol. Its IUPAC name is 5-[[5-[(3,4-difluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]-6-methyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5-[[5-[(3,4-difluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]-6-methyl-1,3-diazinane-2,4-dione
PubChem CID74925350
Molecular FormulaC15H14F2N4O3S
Molecular Weight368.37 g/mol
Exact Mass368.08
IUPAC Name5-[[5-[(3,4-difluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]-6-methyl-1,3-diazinane-2,4-dione
SMILESCC1NC(=O)NC(=O)C1Cc1nnc(SCc2ccc(F)c(F)c2)o1
InChIInChI=1S/C15H14F2N4O3S/c1-7-9(13(22)19-14(23)18-7)5-12-20-21-15(24-12)25-6-8-2-3-10(16)11(17)4-8/h2-4,7,9H,5-6H2,1H3,(H2,18,19,22,23)
InChIKeyAMHHDXUOOKXGFG-UHFFFAOYSA-N
XLogP2.03
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[[5-[(3,4-difluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]-6-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
6-methyl-5-[[5-(1-phenylethylsulfanyl)-1,3,4-oxadiazol-2-yl]methyl]-1,3-diazinane-2,4-dione
CID 74925406
[5-[(3,4-difluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine
CID 102629781
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
5-[[5-[2-(3,4-difluorophenyl)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-3,6-dimethyl-5H-pyrimidine-2,4-dione
CID 74925490
3-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 9170759
2-[(3,4-difluorophenyl)methylsulfanyl]-5-(2,3-dihydro-1-benzofuran-5-yl)-1,3,4-oxadiazole
CID 68663873
2-tert-butyl-5-[(3,4-difluorophenyl)methylsulfanylmethyl]-1,3,4-oxadiazole
CID 75379783
ethyl 5-[(3-chloro-4-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazole-2-carboxylate
CID 103037761

Frequently Asked Questions

What is the IUPAC name of 5-[[5-[(3,4-difluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]-6-methyl-1,3-diazinane-2,4-dione?
The IUPAC name of 5-[[5-[(3,4-difluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]-6-methyl-1,3-diazinane-2,4-dione (CID 74925350) is 5-[[5-[(3,4-difluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]-6-methyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 5-[[5-[(3,4-difluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]-6-methyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 5-[[5-[(3,4-difluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]-6-methyl-1,3-diazinane-2,4-dione is CC1NC(=O)NC(=O)C1Cc1nnc(SCc2ccc(F)c(F)c2)o1.
What is the InChIKey of 5-[[5-[(3,4-difluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]-6-methyl-1,3-diazinane-2,4-dione?
The InChIKey is AMHHDXUOOKXGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N4O3S/c1-7-9(13(22)19-14(23)18-7)5-12-20-21-15(24-12)25-6-8-2-3-10(16)11(17)4-8/h2-4,7,9H,5-6H2,1H3,(H2,18,19,22,23).
What are the key properties of 5-[[5-[(3,4-difluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]-6-methyl-1,3-diazinane-2,4-dione?
5-[[5-[(3,4-difluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]-6-methyl-1,3-diazinane-2,4-dione has a molecular weight of 368.37 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-[(3,4-difluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]-6-methyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 74925350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).