2-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one

C12H18N4O2S — CID 139599543

IUPAC2-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one
SMILESCC(C)c1nnc(N2CCC3(CNC(=O)CO3)C2)s1
InChIInChI=1S/C12H18N4O2S/c1-8(2)10-14-15-11(19-10)16-4-3-12(7-16)6-13-9(17)5-18-12/h8H,3-7H2,1-2H3,(H,13,17)
InChIKeyZRXHGIQJEYKJQJ-UHFFFAOYSA-N
MW282.37 g/mol
LogP0.76
Rot. Bonds2

About 2-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one

2-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one (PubChem CID 139599543) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is 2-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name2-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one
PubChem CID139599543
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC Name2-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one
SMILESCC(C)c1nnc(N2CCC3(CNC(=O)CO3)C2)s1
InChIInChI=1S/C12H18N4O2S/c1-8(2)10-14-15-11(19-10)16-4-3-12(7-16)6-13-9(17)5-18-12/h8H,3-7H2,1-2H3,(H,13,17)
InChIKeyZRXHGIQJEYKJQJ-UHFFFAOYSA-N
XLogP0.76
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one?
The IUPAC name of 2-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one (CID 139599543) is 2-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one.
What is the SMILES notation for 2-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one?
The canonical SMILES for 2-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one is CC(C)c1nnc(N2CCC3(CNC(=O)CO3)C2)s1.
What is the InChIKey of 2-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one?
The InChIKey is ZRXHGIQJEYKJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c1-8(2)10-14-15-11(19-10)16-4-3-12(7-16)6-13-9(17)5-18-12/h8H,3-7H2,1-2H3,(H,13,17).
What are the key properties of 2-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one?
2-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one has a molecular weight of 282.37 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one is sourced from PubChem (CID 139599543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).