5-propyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4-dione

C12H19N5O2S — CID 62207477

IUPAC5-propyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4-dione
SMILESCCCNc1snnc1CN1C(=O)NC(CCC)C1=O
InChIInChI=1S/C12H19N5O2S/c1-3-5-8-11(18)17(12(19)14-8)7-9-10(13-6-4-2)20-16-15-9/h8,13H,3-7H2,1-2H3,(H,14,19)
InChIKeyGXUGHOUHCZBHQV-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.58
Rot. Bonds7

About 5-propyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4-dione

5-propyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4-dione (PubChem CID 62207477) has the molecular formula C12H19N5O2S and a molecular weight of 297.38 g/mol. Its IUPAC name is 5-propyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-propyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4-dione
PubChem CID62207477
Molecular FormulaC12H19N5O2S
Molecular Weight297.38 g/mol
Exact Mass297.13
IUPAC Name5-propyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4-dione
SMILESCCCNc1snnc1CN1C(=O)NC(CCC)C1=O
InChIInChI=1S/C12H19N5O2S/c1-3-5-8-11(18)17(12(19)14-8)7-9-10(13-6-4-2)20-16-15-9/h8,13H,3-7H2,1-2H3,(H,14,19)
InChIKeyGXUGHOUHCZBHQV-UHFFFAOYSA-N
XLogP1.58
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-propyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4-dione?
The IUPAC name of 5-propyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4-dione (CID 62207477) is 5-propyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-propyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-propyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4-dione is CCCNc1snnc1CN1C(=O)NC(CCC)C1=O.
What is the InChIKey of 5-propyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4-dione?
The InChIKey is GXUGHOUHCZBHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2S/c1-3-5-8-11(18)17(12(19)14-8)7-9-10(13-6-4-2)20-16-15-9/h8,13H,3-7H2,1-2H3,(H,14,19).
What are the key properties of 5-propyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4-dione?
5-propyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4-dione has a molecular weight of 297.38 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-3-[[5-(propylamino)thiadiazol-4-yl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 62207477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).