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

C11H17N5O2S — CID 62207313

IUPAC3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-5-propylimidazolidine-2,4-dione
SMILESCCCC1NC(=O)N(Cc2nnsc2NCC)C1=O
InChIInChI=1S/C11H17N5O2S/c1-3-5-7-10(17)16(11(18)13-7)6-8-9(12-4-2)19-15-14-8/h7,12H,3-6H2,1-2H3,(H,13,18)
InChIKeyYASYKMSJKVUGSR-UHFFFAOYSA-N
MW283.36 g/mol
LogP1.19
Rot. Bonds6

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

3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-5-propylimidazolidine-2,4-dione (PubChem CID 62207313) has the molecular formula C11H17N5O2S and a molecular weight of 283.36 g/mol. Its IUPAC name is 3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-5-propylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-5-propylimidazolidine-2,4-dione
PubChem CID62207313
Molecular FormulaC11H17N5O2S
Molecular Weight283.36 g/mol
Exact Mass283.11
IUPAC Name3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-5-propylimidazolidine-2,4-dione
SMILESCCCC1NC(=O)N(Cc2nnsc2NCC)C1=O
InChIInChI=1S/C11H17N5O2S/c1-3-5-7-10(17)16(11(18)13-7)6-8-9(12-4-2)19-15-14-8/h7,12H,3-6H2,1-2H3,(H,13,18)
InChIKeyYASYKMSJKVUGSR-UHFFFAOYSA-N
XLogP1.19
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 51.19
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-(ethylamino)thiadiazol-4-yl]methyl]-5-propylimidazolidine-2,4-dione?
The IUPAC name of 3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-5-propylimidazolidine-2,4-dione (CID 62207313) is 3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-5-propylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-5-propylimidazolidine-2,4-dione?
The canonical SMILES for 3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-5-propylimidazolidine-2,4-dione is CCCC1NC(=O)N(Cc2nnsc2NCC)C1=O.
What is the InChIKey of 3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-5-propylimidazolidine-2,4-dione?
The InChIKey is YASYKMSJKVUGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2S/c1-3-5-7-10(17)16(11(18)13-7)6-8-9(12-4-2)19-15-14-8/h7,12H,3-6H2,1-2H3,(H,13,18).
What are the key properties of 3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-5-propylimidazolidine-2,4-dione?
3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-5-propylimidazolidine-2,4-dione has a molecular weight of 283.36 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-5-propylimidazolidine-2,4-dione is sourced from PubChem (CID 62207313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).