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

C11H15N5O3S — CID 106528256

IUPAC3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCNc1nnc(CN2C(=O)NC3(CCOCC3)C2=O)s1
InChIInChI=1S/C11H15N5O3S/c1-12-9-15-14-7(20-9)6-16-8(17)11(13-10(16)18)2-4-19-5-3-11/h2-6H2,1H3,(H,12,15)(H,13,18)
InChIKeyJDECDCOQINUEQD-UHFFFAOYSA-N
MW297.34 g/mol
LogP0.18
Rot. Bonds3

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

3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 106528256) has the molecular formula C11H15N5O3S and a molecular weight of 297.34 g/mol. Its IUPAC name is 3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID106528256
Molecular FormulaC11H15N5O3S
Molecular Weight297.34 g/mol
Exact Mass297.09
IUPAC Name3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCNc1nnc(CN2C(=O)NC3(CCOCC3)C2=O)s1
InChIInChI=1S/C11H15N5O3S/c1-12-9-15-14-7(20-9)6-16-8(17)11(13-10(16)18)2-4-19-5-3-11/h2-6H2,1H3,(H,12,15)(H,13,18)
InChIKeyJDECDCOQINUEQD-UHFFFAOYSA-N
XLogP0.18
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione (CID 106528256) is 3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione is CNc1nnc(CN2C(=O)NC3(CCOCC3)C2=O)s1.
What is the InChIKey of 3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is JDECDCOQINUEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O3S/c1-12-9-15-14-7(20-9)6-16-8(17)11(13-10(16)18)2-4-19-5-3-11/h2-6H2,1H3,(H,12,15)(H,13,18).
What are the key properties of 3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 297.34 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 106528256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).