3-[(5-aminothiadiazol-4-yl)methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione

C13H19N5O2S — CID 62207147

IUPAC3-[(5-aminothiadiazol-4-yl)methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC1CCCC(C)C12NC(=O)N(Cc1nnsc1N)C2=O
InChIInChI=1S/C13H19N5O2S/c1-7-4-3-5-8(2)13(7)11(19)18(12(20)15-13)6-9-10(14)21-17-16-9/h7-8H,3-6,14H2,1-2H3,(H,15,20)
InChIKeyYFFREVMXEATOEN-UHFFFAOYSA-N
MW309.40 g/mol
LogP1.37
Rot. Bonds2

About 3-[(5-aminothiadiazol-4-yl)methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione

3-[(5-aminothiadiazol-4-yl)methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 62207147) has the molecular formula C13H19N5O2S and a molecular weight of 309.40 g/mol. Its IUPAC name is 3-[(5-aminothiadiazol-4-yl)methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[(5-aminothiadiazol-4-yl)methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID62207147
Molecular FormulaC13H19N5O2S
Molecular Weight309.40 g/mol
Exact Mass309.13
IUPAC Name3-[(5-aminothiadiazol-4-yl)methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC1CCCC(C)C12NC(=O)N(Cc1nnsc1N)C2=O
InChIInChI=1S/C13H19N5O2S/c1-7-4-3-5-8(2)13(7)11(19)18(12(20)15-13)6-9-10(14)21-17-16-9/h7-8H,3-6,14H2,1-2H3,(H,15,20)
InChIKeyYFFREVMXEATOEN-UHFFFAOYSA-N
XLogP1.37
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.40
LogP ≤ 51.37
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-aminothiadiazol-4-yl)methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[(5-aminothiadiazol-4-yl)methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione (CID 62207147) is 3-[(5-aminothiadiazol-4-yl)methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[(5-aminothiadiazol-4-yl)methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[(5-aminothiadiazol-4-yl)methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione is CC1CCCC(C)C12NC(=O)N(Cc1nnsc1N)C2=O.
What is the InChIKey of 3-[(5-aminothiadiazol-4-yl)methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is YFFREVMXEATOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2S/c1-7-4-3-5-8(2)13(7)11(19)18(12(20)15-13)6-9-10(14)21-17-16-9/h7-8H,3-6,14H2,1-2H3,(H,15,20).
What are the key properties of 3-[(5-aminothiadiazol-4-yl)methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[(5-aminothiadiazol-4-yl)methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 309.40 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-aminothiadiazol-4-yl)methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 62207147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).