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

C13H17ClN4O2S — CID 43423231

IUPAC3-[(5-chlorothiadiazol-4-yl)methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC1CCCC(C)C12NC(=O)N(Cc1nnsc1Cl)C2=O
InChIInChI=1S/C13H17ClN4O2S/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,3-6H2,1-2H3,(H,15,20)
InChIKeyCDYSHTBZUQEHIF-UHFFFAOYSA-N
MW328.83 g/mol
LogP2.44
Rot. Bonds2

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

3-[(5-chlorothiadiazol-4-yl)methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 43423231) has the molecular formula C13H17ClN4O2S and a molecular weight of 328.83 g/mol. Its IUPAC name is 3-[(5-chlorothiadiazol-4-yl)methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[(5-chlorothiadiazol-4-yl)methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID43423231
Molecular FormulaC13H17ClN4O2S
Molecular Weight328.83 g/mol
Exact Mass328.08
IUPAC Name3-[(5-chlorothiadiazol-4-yl)methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC1CCCC(C)C12NC(=O)N(Cc1nnsc1Cl)C2=O
InChIInChI=1S/C13H17ClN4O2S/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,3-6H2,1-2H3,(H,15,20)
InChIKeyCDYSHTBZUQEHIF-UHFFFAOYSA-N
XLogP2.44
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.83
LogP ≤ 52.44
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]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 9362368
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]-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-Aminothiadiazol-4-yl)methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 62207147
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
(5S)-5-[(3R)-1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione
CID 97217649
(5R)-5-[(3R)-1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione
CID 97217650
(5S)-5-[(3S)-1-[(5-chlorothiadiazol-4-yl)methyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione
CID 97217651

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chlorothiadiazol-4-yl)methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[(5-chlorothiadiazol-4-yl)methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione (CID 43423231) is 3-[(5-chlorothiadiazol-4-yl)methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[(5-chlorothiadiazol-4-yl)methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[(5-chlorothiadiazol-4-yl)methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione is CC1CCCC(C)C12NC(=O)N(Cc1nnsc1Cl)C2=O.
What is the InChIKey of 3-[(5-chlorothiadiazol-4-yl)methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is CDYSHTBZUQEHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O2S/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,3-6H2,1-2H3,(H,15,20).
What are the key properties of 3-[(5-chlorothiadiazol-4-yl)methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[(5-chlorothiadiazol-4-yl)methyl]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 328.83 g/mol, XLogP of 2.44, 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]-6,10-dimethyl-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 43423231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).