3-[(5-hydrazinylthiadiazol-4-yl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

C12H18N6O2S — CID 62245596

IUPAC3-[(5-hydrazinylthiadiazol-4-yl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC1CCC2(CC1)NC(=O)N(Cc1nnsc1NN)C2=O
InChIInChI=1S/C12H18N6O2S/c1-7-2-4-12(5-3-7)10(19)18(11(20)14-12)6-8-9(15-13)21-17-16-8/h7,15H,2-6,13H2,1H3,(H,14,20)
InChIKeyODMMNMIQJLBHFL-UHFFFAOYSA-N
MW310.38 g/mol
LogP0.82
Rot. Bonds3

About 3-[(5-hydrazinylthiadiazol-4-yl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

3-[(5-hydrazinylthiadiazol-4-yl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 62245596) has the molecular formula C12H18N6O2S and a molecular weight of 310.38 g/mol. Its IUPAC name is 3-[(5-hydrazinylthiadiazol-4-yl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[(5-hydrazinylthiadiazol-4-yl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID62245596
Molecular FormulaC12H18N6O2S
Molecular Weight310.38 g/mol
Exact Mass310.12
IUPAC Name3-[(5-hydrazinylthiadiazol-4-yl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC1CCC2(CC1)NC(=O)N(Cc1nnsc1NN)C2=O
InChIInChI=1S/C12H18N6O2S/c1-7-2-4-12(5-3-7)10(19)18(11(20)14-12)6-8-9(15-13)21-17-16-8/h7,15H,2-6,13H2,1H3,(H,14,20)
InChIKeyODMMNMIQJLBHFL-UHFFFAOYSA-N
XLogP0.82
TPSA113.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-hydrazinylthiadiazol-4-yl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[(5-hydrazinylthiadiazol-4-yl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (CID 62245596) is 3-[(5-hydrazinylthiadiazol-4-yl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[(5-hydrazinylthiadiazol-4-yl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[(5-hydrazinylthiadiazol-4-yl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is CC1CCC2(CC1)NC(=O)N(Cc1nnsc1NN)C2=O.
What is the InChIKey of 3-[(5-hydrazinylthiadiazol-4-yl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is ODMMNMIQJLBHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O2S/c1-7-2-4-12(5-3-7)10(19)18(11(20)14-12)6-8-9(15-13)21-17-16-8/h7,15H,2-6,13H2,1H3,(H,14,20).
What are the key properties of 3-[(5-hydrazinylthiadiazol-4-yl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[(5-hydrazinylthiadiazol-4-yl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 310.38 g/mol, XLogP of 0.82, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-hydrazinylthiadiazol-4-yl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 62245596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).