3-[3-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propyl]imidazolidine-2,4-dione

C18H23N5O2S2 — CID 55856848

IUPAC3-[3-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propyl]imidazolidine-2,4-dione
SMILESCCc1cccc(CC)c1Nc1nnc(SCCCN2C(=O)CNC2=O)s1
InChIInChI=1S/C18H23N5O2S2/c1-3-12-7-5-8-13(4-2)15(12)20-16-21-22-18(27-16)26-10-6-9-23-14(24)11-19-17(23)25/h5,7-8H,3-4,6,9-11H2,1-2H3,(H,19,25)(H,20,21)
InChIKeyWOTDJNBUBMPWGA-UHFFFAOYSA-N
MW405.55 g/mol
LogP3.44
Rot. Bonds9

About 3-[3-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propyl]imidazolidine-2,4-dione

3-[3-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propyl]imidazolidine-2,4-dione (PubChem CID 55856848) has the molecular formula C18H23N5O2S2 and a molecular weight of 405.55 g/mol. Its IUPAC name is 3-[3-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[3-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propyl]imidazolidine-2,4-dione
PubChem CID55856848
Molecular FormulaC18H23N5O2S2
Molecular Weight405.55 g/mol
Exact Mass405.13
IUPAC Name3-[3-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propyl]imidazolidine-2,4-dione
SMILESCCc1cccc(CC)c1Nc1nnc(SCCCN2C(=O)CNC2=O)s1
InChIInChI=1S/C18H23N5O2S2/c1-3-12-7-5-8-13(4-2)15(12)20-16-21-22-18(27-16)26-10-6-9-23-14(24)11-19-17(23)25/h5,7-8H,3-4,6,9-11H2,1-2H3,(H,19,25)(H,20,21)
InChIKeyWOTDJNBUBMPWGA-UHFFFAOYSA-N
XLogP3.44
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.55
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[[5-[3-(2,5-dioxoimidazolidin-1-yl)propylsulfanyl]-1,3,4-thiadiazol-2-yl]amino]phenyl]acetamide
CID 55857363
2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-pentan-2-ylacetamide
CID 16570754
7-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-2-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 55737500
2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 24519559
2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 46639781
N-(2-chloro-3-pyridinyl)-2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 24519541
2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 27062722
N-(2-ethyl-6-methylphenyl)-5-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 35218209
(2R)-3-[[5-(2-ethyl-6-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-2-methylpropanenitrile
CID 9477583
N-cyclopropyl-2-[[2-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-methylamino]acetamide
CID 24519556
N-(2-ethylphenyl)-5-(2-methylsulfanylethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 9477918
3-[3-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propyl]imidazolidine-2,4-dione
CID 60523144

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[3-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propyl]imidazolidine-2,4-dione (CID 55856848) is 3-[3-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[3-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[3-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propyl]imidazolidine-2,4-dione is CCc1cccc(CC)c1Nc1nnc(SCCCN2C(=O)CNC2=O)s1.
What is the InChIKey of 3-[3-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propyl]imidazolidine-2,4-dione?
The InChIKey is WOTDJNBUBMPWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2S2/c1-3-12-7-5-8-13(4-2)15(12)20-16-21-22-18(27-16)26-10-6-9-23-14(24)11-19-17(23)25/h5,7-8H,3-4,6,9-11H2,1-2H3,(H,19,25)(H,20,21).
What are the key properties of 3-[3-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propyl]imidazolidine-2,4-dione?
3-[3-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propyl]imidazolidine-2,4-dione has a molecular weight of 405.55 g/mol, XLogP of 3.44, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[5-(2,6-diethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propyl]imidazolidine-2,4-dione is sourced from PubChem (CID 55856848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).