3-[[5-(methylamino)thiadiazol-4-yl]methyl]-5-propylimidazolidine-2,4-dione

C10H15N5O2S — CID 62207312

IUPAC3-[[5-(methylamino)thiadiazol-4-yl]methyl]-5-propylimidazolidine-2,4-dione
SMILESCCCC1NC(=O)N(Cc2nnsc2NC)C1=O
InChIInChI=1S/C10H15N5O2S/c1-3-4-6-9(16)15(10(17)12-6)5-7-8(11-2)18-14-13-7/h6,11H,3-5H2,1-2H3,(H,12,17)
InChIKeyMTMYRZRZMIGZKX-UHFFFAOYSA-N
MW269.33 g/mol
LogP0.80
Rot. Bonds5

About 3-[[5-(methylamino)thiadiazol-4-yl]methyl]-5-propylimidazolidine-2,4-dione

3-[[5-(methylamino)thiadiazol-4-yl]methyl]-5-propylimidazolidine-2,4-dione (PubChem CID 62207312) has the molecular formula C10H15N5O2S and a molecular weight of 269.33 g/mol. Its IUPAC name is 3-[[5-(methylamino)thiadiazol-4-yl]methyl]-5-propylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[5-(methylamino)thiadiazol-4-yl]methyl]-5-propylimidazolidine-2,4-dione
PubChem CID62207312
Molecular FormulaC10H15N5O2S
Molecular Weight269.33 g/mol
Exact Mass269.09
IUPAC Name3-[[5-(methylamino)thiadiazol-4-yl]methyl]-5-propylimidazolidine-2,4-dione
SMILESCCCC1NC(=O)N(Cc2nnsc2NC)C1=O
InChIInChI=1S/C10H15N5O2S/c1-3-4-6-9(16)15(10(17)12-6)5-7-8(11-2)18-14-13-7/h6,11H,3-5H2,1-2H3,(H,12,17)
InChIKeyMTMYRZRZMIGZKX-UHFFFAOYSA-N
XLogP0.80
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 50.80
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 3-[[5-(methylamino)thiadiazol-4-yl]methyl]-5-propylimidazolidine-2,4-dione?
The IUPAC name of 3-[[5-(methylamino)thiadiazol-4-yl]methyl]-5-propylimidazolidine-2,4-dione (CID 62207312) is 3-[[5-(methylamino)thiadiazol-4-yl]methyl]-5-propylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[[5-(methylamino)thiadiazol-4-yl]methyl]-5-propylimidazolidine-2,4-dione?
The canonical SMILES for 3-[[5-(methylamino)thiadiazol-4-yl]methyl]-5-propylimidazolidine-2,4-dione is CCCC1NC(=O)N(Cc2nnsc2NC)C1=O.
What is the InChIKey of 3-[[5-(methylamino)thiadiazol-4-yl]methyl]-5-propylimidazolidine-2,4-dione?
The InChIKey is MTMYRZRZMIGZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2S/c1-3-4-6-9(16)15(10(17)12-6)5-7-8(11-2)18-14-13-7/h6,11H,3-5H2,1-2H3,(H,12,17).
What are the key properties of 3-[[5-(methylamino)thiadiazol-4-yl]methyl]-5-propylimidazolidine-2,4-dione?
3-[[5-(methylamino)thiadiazol-4-yl]methyl]-5-propylimidazolidine-2,4-dione has a molecular weight of 269.33 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(methylamino)thiadiazol-4-yl]methyl]-5-propylimidazolidine-2,4-dione is sourced from PubChem (CID 62207312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).