3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione

C13H19N5O2S — CID 62207636

IUPAC3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCCNc1snnc1CN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C13H19N5O2S/c1-2-14-10-9(16-17-21-10)8-18-11(19)13(15-12(18)20)6-4-3-5-7-13/h14H,2-8H2,1H3,(H,15,20)
InChIKeyADVIQVUMVJOIQY-UHFFFAOYSA-N
MW309.40 g/mol
LogP1.72
Rot. Bonds4

About 3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione

3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 62207636) has the molecular formula C13H19N5O2S and a molecular weight of 309.40 g/mol. Its IUPAC name is 3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID62207636
Molecular FormulaC13H19N5O2S
Molecular Weight309.40 g/mol
Exact Mass309.13
IUPAC Name3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCCNc1snnc1CN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C13H19N5O2S/c1-2-14-10-9(16-17-21-10)8-18-11(19)13(15-12(18)20)6-4-3-5-7-13/h14H,2-8H2,1H3,(H,15,20)
InChIKeyADVIQVUMVJOIQY-UHFFFAOYSA-N
XLogP1.72
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.40
LogP ≤ 51.72
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]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 62207636) is 3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione is CCNc1snnc1CN1C(=O)NC2(CCCCC2)C1=O.
What is the InChIKey of 3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is ADVIQVUMVJOIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2S/c1-2-14-10-9(16-17-21-10)8-18-11(19)13(15-12(18)20)6-4-3-5-7-13/h14H,2-8H2,1H3,(H,15,20).
What are the key properties of 3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[[5-(ethylamino)thiadiazol-4-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 309.40 g/mol, XLogP of 1.72, 4 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]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 62207636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).