3-[(5-chlorothiadiazol-4-yl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione

C12H15ClN4O2S — CID 9362368

IUPAC3-[(5-chlorothiadiazol-4-yl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
SMILESO=C1NC2(CCCCCC2)C(=O)N1Cc1nnsc1Cl
InChIInChI=1S/C12H15ClN4O2S/c13-9-8(15-16-20-9)7-17-10(18)12(14-11(17)19)5-3-1-2-4-6-12/h1-7H2,(H,14,19)
InChIKeySEBWNUOLVOFXIY-UHFFFAOYSA-N
MW314.80 g/mol
LogP2.34
Rot. Bonds2

About 3-[(5-chlorothiadiazol-4-yl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione

3-[(5-chlorothiadiazol-4-yl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione (PubChem CID 9362368) has the molecular formula C12H15ClN4O2S and a molecular weight of 314.80 g/mol. Its IUPAC name is 3-[(5-chlorothiadiazol-4-yl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione.

Molecular Properties

Compound Name3-[(5-chlorothiadiazol-4-yl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
PubChem CID9362368
Molecular FormulaC12H15ClN4O2S
Molecular Weight314.80 g/mol
Exact Mass314.06
IUPAC Name3-[(5-chlorothiadiazol-4-yl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
SMILESO=C1NC2(CCCCCC2)C(=O)N1Cc1nnsc1Cl
InChIInChI=1S/C12H15ClN4O2S/c13-9-8(15-16-20-9)7-17-10(18)12(14-11(17)19)5-3-1-2-4-6-12/h1-7H2,(H,14,19)
InChIKeySEBWNUOLVOFXIY-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

3-[(5-Chlorothiadiazol-4-yl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 17483131
3-[(5-Chlorothiadiazol-4-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 17483138
3-[(5-Chlorothiadiazol-4-yl)methyl]-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 17502697
3-[(5-Chlorothiadiazol-4-yl)methyl]-5-ethyl-5-methylimidazolidine-2,4-dione
CID 43407963
3-[(5-Chlorothiadiazol-4-yl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 43407964
3-[(5-Chlorothiadiazol-4-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 43407969
3-[(5-Chlorothiadiazol-4-yl)methyl]-5-propylimidazolidine-2,4-dione
CID 43407995
3-[(5-Chlorothiadiazol-4-yl)methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 43423231
3-[(5-Aminothiadiazol-4-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 55046336
3-[(5-Aminothiadiazol-4-yl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 62207301
5-[1-[(5-Chlorothiadiazol-4-yl)methyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione
CID 75373860
3-[(5-Chlorothiadiazol-4-yl)methyl]-5,5-dicyclopropylimidazolidine-2,4-dione
CID 75419600

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chlorothiadiazol-4-yl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
The IUPAC name of 3-[(5-chlorothiadiazol-4-yl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione (CID 9362368) is 3-[(5-chlorothiadiazol-4-yl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione.
What is the SMILES notation for 3-[(5-chlorothiadiazol-4-yl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
The canonical SMILES for 3-[(5-chlorothiadiazol-4-yl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione is O=C1NC2(CCCCCC2)C(=O)N1Cc1nnsc1Cl.
What is the InChIKey of 3-[(5-chlorothiadiazol-4-yl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
The InChIKey is SEBWNUOLVOFXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O2S/c13-9-8(15-16-20-9)7-17-10(18)12(14-11(17)19)5-3-1-2-4-6-12/h1-7H2,(H,14,19).
What are the key properties of 3-[(5-chlorothiadiazol-4-yl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
3-[(5-chlorothiadiazol-4-yl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione has a molecular weight of 314.80 g/mol, XLogP of 2.34, 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]-1,3-diazaspiro[4.6]undecane-2,4-dione is sourced from PubChem (CID 9362368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).