3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

C10H14N6O2S — CID 80613383

IUPAC3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESNNc1nnc(CN2C(=O)NC3(CCCC3)C2=O)s1
InChIInChI=1S/C10H14N6O2S/c11-13-8-15-14-6(19-8)5-16-7(17)10(12-9(16)18)3-1-2-4-10/h1-5,11H2,(H,12,18)(H,13,15)
InChIKeyLDABNBYQDGPXAP-UHFFFAOYSA-N
MW282.33 g/mol
LogP0.19
Rot. Bonds3

About 3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 80613383) has the molecular formula C10H14N6O2S and a molecular weight of 282.33 g/mol. Its IUPAC name is 3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID80613383
Molecular FormulaC10H14N6O2S
Molecular Weight282.33 g/mol
Exact Mass282.09
IUPAC Name3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESNNc1nnc(CN2C(=O)NC3(CCCC3)C2=O)s1
InChIInChI=1S/C10H14N6O2S/c11-13-8-15-14-6(19-8)5-16-7(17)10(12-9(16)18)3-1-2-4-10/h1-5,11H2,(H,12,18)(H,13,15)
InChIKeyLDABNBYQDGPXAP-UHFFFAOYSA-N
XLogP0.19
TPSA113.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 80609773
3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
CID 106528256
3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 79765365
3-(1,3-benzothiazol-2-ylmethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 2701734
3-[(5-anilino-1,3,4-thiadiazol-2-yl)methyl]-5,5-diphenylimidazolidine-2,4-dione
CID 71574591
3-[(5-hydrazinylthiadiazol-4-yl)methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 62245596
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 47004586
3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione
CID 80611560
3-ethyl-4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]piperazine-2,6-dione
CID 80613286
3-(2-aminoethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 18071047
4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-3-methylpiperazin-2-one
CID 80613588
3-[(6-amino-2-pyridinyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 79232630

Frequently Asked Questions

What is the IUPAC name of 3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 80613383) is 3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is NNc1nnc(CN2C(=O)NC3(CCCC3)C2=O)s1.
What is the InChIKey of 3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is LDABNBYQDGPXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O2S/c11-13-8-15-14-6(19-8)5-16-7(17)10(12-9(16)18)3-1-2-4-10/h1-5,11H2,(H,12,18)(H,13,15).
What are the key properties of 3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 282.33 g/mol, XLogP of 0.19, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 80613383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).