3-[(5-aminothiadiazol-4-yl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione

C13H19N5O2S — CID 62207301

IUPAC3-[(5-aminothiadiazol-4-yl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
SMILESNc1snnc1CN1C(=O)NC2(CCCCCCC2)C1=O
InChIInChI=1S/C13H19N5O2S/c14-10-9(16-17-21-10)8-18-11(19)13(15-12(18)20)6-4-2-1-3-5-7-13/h1-8,14H2,(H,15,20)
InChIKeyHCOARDYSDKYHBG-UHFFFAOYSA-N
MW309.40 g/mol
LogP1.66
Rot. Bonds2

About 3-[(5-aminothiadiazol-4-yl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione

3-[(5-aminothiadiazol-4-yl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione (PubChem CID 62207301) has the molecular formula C13H19N5O2S and a molecular weight of 309.40 g/mol. Its IUPAC name is 3-[(5-aminothiadiazol-4-yl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione.

Molecular Properties

Compound Name3-[(5-aminothiadiazol-4-yl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
PubChem CID62207301
Molecular FormulaC13H19N5O2S
Molecular Weight309.40 g/mol
Exact Mass309.13
IUPAC Name3-[(5-aminothiadiazol-4-yl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
SMILESNc1snnc1CN1C(=O)NC2(CCCCCCC2)C1=O
InChIInChI=1S/C13H19N5O2S/c14-10-9(16-17-21-10)8-18-11(19)13(15-12(18)20)6-4-2-1-3-5-7-13/h1-8,14H2,(H,15,20)
InChIKeyHCOARDYSDKYHBG-UHFFFAOYSA-N
XLogP1.66
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 ≤ 51.66
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]-1,3-diazaspiro[4.7]dodecane-2,4-dione?
The IUPAC name of 3-[(5-aminothiadiazol-4-yl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione (CID 62207301) is 3-[(5-aminothiadiazol-4-yl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione.
What is the SMILES notation for 3-[(5-aminothiadiazol-4-yl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione?
The canonical SMILES for 3-[(5-aminothiadiazol-4-yl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione is Nc1snnc1CN1C(=O)NC2(CCCCCCC2)C1=O.
What is the InChIKey of 3-[(5-aminothiadiazol-4-yl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione?
The InChIKey is HCOARDYSDKYHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2S/c14-10-9(16-17-21-10)8-18-11(19)13(15-12(18)20)6-4-2-1-3-5-7-13/h1-8,14H2,(H,15,20).
What are the key properties of 3-[(5-aminothiadiazol-4-yl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione?
3-[(5-aminothiadiazol-4-yl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione has a molecular weight of 309.40 g/mol, XLogP of 1.66, 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]-1,3-diazaspiro[4.7]dodecane-2,4-dione is sourced from PubChem (CID 62207301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).