9-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione

C12H15N3O3S — CID 106383679

IUPAC9-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESO=C1CN(Cc2csc(=O)[nH]2)C(=O)C2(CCCC2)N1
InChIInChI=1S/C12H15N3O3S/c16-9-6-15(5-8-7-19-11(18)13-8)10(17)12(14-9)3-1-2-4-12/h7H,1-6H2,(H,13,18)(H,14,16)
InChIKeyFIOCEZLJLQSPDH-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.21
Rot. Bonds2

About 9-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione

9-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione (PubChem CID 106383679) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is 9-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione.

Molecular Properties

Compound Name9-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione
PubChem CID106383679
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC Name9-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESO=C1CN(Cc2csc(=O)[nH]2)C(=O)C2(CCCC2)N1
InChIInChI=1S/C12H15N3O3S/c16-9-6-15(5-8-7-19-11(18)13-8)10(17)12(14-9)3-1-2-4-12/h7H,1-6H2,(H,13,18)(H,14,16)
InChIKeyFIOCEZLJLQSPDH-UHFFFAOYSA-N
XLogP0.21
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione?
The IUPAC name of 9-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione (CID 106383679) is 9-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione.
What is the SMILES notation for 9-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione?
The canonical SMILES for 9-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione is O=C1CN(Cc2csc(=O)[nH]2)C(=O)C2(CCCC2)N1.
What is the InChIKey of 9-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione?
The InChIKey is FIOCEZLJLQSPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c16-9-6-15(5-8-7-19-11(18)13-8)10(17)12(14-9)3-1-2-4-12/h7H,1-6H2,(H,13,18)(H,14,16).
What are the key properties of 9-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione?
9-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione has a molecular weight of 281.34 g/mol, XLogP of 0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione is sourced from PubChem (CID 106383679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).