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

C12H15ClN4O2S — CID 17483131

IUPAC3-[(5-chlorothiadiazol-4-yl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC1CCC2(CC1)NC(=O)N(Cc1nnsc1Cl)C2=O
InChIInChI=1S/C12H15ClN4O2S/c1-7-2-4-12(5-3-7)10(18)17(11(19)14-12)6-8-9(13)20-16-15-8/h7H,2-6H2,1H3,(H,14,19)
InChIKeyARUNIYZEYUQWLI-UHFFFAOYSA-N
MW314.80 g/mol
LogP2.19
Rot. Bonds2

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

3-[(5-chlorothiadiazol-4-yl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 17483131) has the molecular formula C12H15ClN4O2S and a molecular weight of 314.80 g/mol. Its IUPAC name is 3-[(5-chlorothiadiazol-4-yl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[(5-chlorothiadiazol-4-yl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID17483131
Molecular FormulaC12H15ClN4O2S
Molecular Weight314.80 g/mol
Exact Mass314.06
IUPAC Name3-[(5-chlorothiadiazol-4-yl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC1CCC2(CC1)NC(=O)N(Cc1nnsc1Cl)C2=O
InChIInChI=1S/C12H15ClN4O2S/c1-7-2-4-12(5-3-7)10(18)17(11(19)14-12)6-8-9(13)20-16-15-8/h7H,2-6H2,1H3,(H,14,19)
InChIKeyARUNIYZEYUQWLI-UHFFFAOYSA-N
XLogP2.19
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.80
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-chlorothiadiazol-4-yl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[(5-chlorothiadiazol-4-yl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (CID 17483131) is 3-[(5-chlorothiadiazol-4-yl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[(5-chlorothiadiazol-4-yl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[(5-chlorothiadiazol-4-yl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is CC1CCC2(CC1)NC(=O)N(Cc1nnsc1Cl)C2=O.
What is the InChIKey of 3-[(5-chlorothiadiazol-4-yl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is ARUNIYZEYUQWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O2S/c1-7-2-4-12(5-3-7)10(18)17(11(19)14-12)6-8-9(13)20-16-15-8/h7H,2-6H2,1H3,(H,14,19).
What are the key properties of 3-[(5-chlorothiadiazol-4-yl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[(5-chlorothiadiazol-4-yl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 314.80 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chlorothiadiazol-4-yl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 17483131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).