9-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3,9-diazaspiro[5.5]undecane-2,4-dione

C15H19N5O2S — CID 72862125

IUPAC9-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3,9-diazaspiro[5.5]undecane-2,4-dione
SMILESCc1nn(C)c2nc(N3CCC4(CC3)CC(=O)NC(=O)C4)sc12
InChIInChI=1S/C15H19N5O2S/c1-9-12-13(19(2)18-9)17-14(23-12)20-5-3-15(4-6-20)7-10(21)16-11(22)8-15/h3-8H2,1-2H3,(H,16,21,22)
InChIKeyBCOJNTIVDIFJHJ-UHFFFAOYSA-N
MW333.42 g/mol
LogP1.36
Rot. Bonds1

About 9-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3,9-diazaspiro[5.5]undecane-2,4-dione

9-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3,9-diazaspiro[5.5]undecane-2,4-dione (PubChem CID 72862125) has the molecular formula C15H19N5O2S and a molecular weight of 333.42 g/mol. Its IUPAC name is 9-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3,9-diazaspiro[5.5]undecane-2,4-dione.

Molecular Properties

Compound Name9-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3,9-diazaspiro[5.5]undecane-2,4-dione
PubChem CID72862125
Molecular FormulaC15H19N5O2S
Molecular Weight333.42 g/mol
Exact Mass333.13
IUPAC Name9-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3,9-diazaspiro[5.5]undecane-2,4-dione
SMILESCc1nn(C)c2nc(N3CCC4(CC3)CC(=O)NC(=O)C4)sc12
InChIInChI=1S/C15H19N5O2S/c1-9-12-13(19(2)18-9)17-14(23-12)20-5-3-15(4-6-20)7-10(21)16-11(22)8-15/h3-8H2,1-2H3,(H,16,21,22)
InChIKeyBCOJNTIVDIFJHJ-UHFFFAOYSA-N
XLogP1.36
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3,9-diazaspiro[5.5]undecane-2,4-dione?
The IUPAC name of 9-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3,9-diazaspiro[5.5]undecane-2,4-dione (CID 72862125) is 9-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3,9-diazaspiro[5.5]undecane-2,4-dione.
What is the SMILES notation for 9-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3,9-diazaspiro[5.5]undecane-2,4-dione?
The canonical SMILES for 9-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3,9-diazaspiro[5.5]undecane-2,4-dione is Cc1nn(C)c2nc(N3CCC4(CC3)CC(=O)NC(=O)C4)sc12.
What is the InChIKey of 9-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3,9-diazaspiro[5.5]undecane-2,4-dione?
The InChIKey is BCOJNTIVDIFJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2S/c1-9-12-13(19(2)18-9)17-14(23-12)20-5-3-15(4-6-20)7-10(21)16-11(22)8-15/h3-8H2,1-2H3,(H,16,21,22).
What are the key properties of 9-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3,9-diazaspiro[5.5]undecane-2,4-dione?
9-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3,9-diazaspiro[5.5]undecane-2,4-dione has a molecular weight of 333.42 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1,3-dimethylpyrazolo[5,4-d][1,3]thiazol-5-yl)-3,9-diazaspiro[5.5]undecane-2,4-dione is sourced from PubChem (CID 72862125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).