4-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione

C13H17N3O3S — CID 106383672

IUPAC4-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESO=C1CN(Cc2csc(=O)[nH]2)C(=O)C2(CCCCC2)N1
InChIInChI=1S/C13H17N3O3S/c17-10-7-16(6-9-8-20-12(19)14-9)11(18)13(15-10)4-2-1-3-5-13/h8H,1-7H2,(H,14,19)(H,15,17)
InChIKeyDTTQXMCIWOTKHH-UHFFFAOYSA-N
MW295.36 g/mol
LogP0.60
Rot. Bonds2

About 4-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione

4-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione (PubChem CID 106383672) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 4-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione.

Molecular Properties

Compound Name4-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione
PubChem CID106383672
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name4-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESO=C1CN(Cc2csc(=O)[nH]2)C(=O)C2(CCCCC2)N1
InChIInChI=1S/C13H17N3O3S/c17-10-7-16(6-9-8-20-12(19)14-9)11(18)13(15-10)4-2-1-3-5-13/h8H,1-7H2,(H,14,19)(H,15,17)
InChIKeyDTTQXMCIWOTKHH-UHFFFAOYSA-N
XLogP0.60
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione?
The IUPAC name of 4-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione (CID 106383672) is 4-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione.
What is the SMILES notation for 4-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione?
The canonical SMILES for 4-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione is O=C1CN(Cc2csc(=O)[nH]2)C(=O)C2(CCCCC2)N1.
What is the InChIKey of 4-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione?
The InChIKey is DTTQXMCIWOTKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c17-10-7-16(6-9-8-20-12(19)14-9)11(18)13(15-10)4-2-1-3-5-13/h8H,1-7H2,(H,14,19)(H,15,17).
What are the key properties of 4-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione?
4-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione has a molecular weight of 295.36 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione is sourced from PubChem (CID 106383672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).