8-methyl-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione

C16H18N4O3S — CID 2474646

IUPAC8-methyl-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC1CCC2(CC1)NC(=O)N(Cc1nnc(-c3cccs3)o1)C2=O
InChIInChI=1S/C16H18N4O3S/c1-10-4-6-16(7-5-10)14(21)20(15(22)17-16)9-12-18-19-13(23-12)11-3-2-8-24-11/h2-3,8,10H,4-7,9H2,1H3,(H,17,22)
InChIKeySVFSOGPAVDRLLP-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.80
Rot. Bonds3

About 8-methyl-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione

8-methyl-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 2474646) has the molecular formula C16H18N4O3S and a molecular weight of 346.41 g/mol. Its IUPAC name is 8-methyl-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-methyl-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID2474646
Molecular FormulaC16H18N4O3S
Molecular Weight346.41 g/mol
Exact Mass346.11
IUPAC Name8-methyl-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC1CCC2(CC1)NC(=O)N(Cc1nnc(-c3cccs3)o1)C2=O
InChIInChI=1S/C16H18N4O3S/c1-10-4-6-16(7-5-10)14(21)20(15(22)17-16)9-12-18-19-13(23-12)11-3-2-8-24-11/h2-3,8,10H,4-7,9H2,1H3,(H,17,22)
InChIKeySVFSOGPAVDRLLP-UHFFFAOYSA-N
XLogP2.80
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.80
H-Bond Donors ≤ 51
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 8-methyl-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-methyl-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 2474646) is 8-methyl-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-methyl-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-methyl-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione is CC1CCC2(CC1)NC(=O)N(Cc1nnc(-c3cccs3)o1)C2=O.
What is the InChIKey of 8-methyl-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is SVFSOGPAVDRLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3S/c1-10-4-6-16(7-5-10)14(21)20(15(22)17-16)9-12-18-19-13(23-12)11-3-2-8-24-11/h2-3,8,10H,4-7,9H2,1H3,(H,17,22).
What are the key properties of 8-methyl-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
8-methyl-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 346.41 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 2474646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).