10-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-6,10-diazaspiro[4.6]undecane-7,11-dione

C13H17N3O3S — CID 106383691

IUPAC10-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-6,10-diazaspiro[4.6]undecane-7,11-dione
SMILESO=C1CCN(Cc2csc(=O)[nH]2)C(=O)C2(CCCC2)N1
InChIInChI=1S/C13H17N3O3S/c17-10-3-6-16(7-9-8-20-12(19)14-9)11(18)13(15-10)4-1-2-5-13/h8H,1-7H2,(H,14,19)(H,15,17)
InChIKeyMXWFMHYOCNMKEW-UHFFFAOYSA-N
MW295.36 g/mol
LogP0.60
Rot. Bonds2

About 10-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-6,10-diazaspiro[4.6]undecane-7,11-dione

10-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-6,10-diazaspiro[4.6]undecane-7,11-dione (PubChem CID 106383691) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 10-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-6,10-diazaspiro[4.6]undecane-7,11-dione.

Molecular Properties

Compound Name10-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-6,10-diazaspiro[4.6]undecane-7,11-dione
PubChem CID106383691
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name10-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-6,10-diazaspiro[4.6]undecane-7,11-dione
SMILESO=C1CCN(Cc2csc(=O)[nH]2)C(=O)C2(CCCC2)N1
InChIInChI=1S/C13H17N3O3S/c17-10-3-6-16(7-9-8-20-12(19)14-9)11(18)13(15-10)4-1-2-5-13/h8H,1-7H2,(H,14,19)(H,15,17)
InChIKeyMXWFMHYOCNMKEW-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 10-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-6,10-diazaspiro[4.6]undecane-7,11-dione?
The IUPAC name of 10-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-6,10-diazaspiro[4.6]undecane-7,11-dione (CID 106383691) is 10-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-6,10-diazaspiro[4.6]undecane-7,11-dione.
What is the SMILES notation for 10-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-6,10-diazaspiro[4.6]undecane-7,11-dione?
The canonical SMILES for 10-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-6,10-diazaspiro[4.6]undecane-7,11-dione is O=C1CCN(Cc2csc(=O)[nH]2)C(=O)C2(CCCC2)N1.
What is the InChIKey of 10-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-6,10-diazaspiro[4.6]undecane-7,11-dione?
The InChIKey is MXWFMHYOCNMKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c17-10-3-6-16(7-9-8-20-12(19)14-9)11(18)13(15-10)4-1-2-5-13/h8H,1-7H2,(H,14,19)(H,15,17).
What are the key properties of 10-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-6,10-diazaspiro[4.6]undecane-7,11-dione?
10-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-6,10-diazaspiro[4.6]undecane-7,11-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 10-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-6,10-diazaspiro[4.6]undecane-7,11-dione is sourced from PubChem (CID 106383691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).