7-([1,3]thiazolo[4,5-b]pyridin-2-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione

C12H11N5O2S — CID 150028881

IUPAC7-([1,3]thiazolo[4,5-b]pyridin-2-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
SMILESO=C1NC(=O)C2(CCN(c3nc4ncccc4s3)C2)N1
InChIInChI=1S/C12H11N5O2S/c18-9-12(16-10(19)15-9)3-5-17(6-12)11-14-8-7(20-11)2-1-4-13-8/h1-2,4H,3,5-6H2,(H2,15,16,18,19)
InChIKeyDGVCXMYHBXQNBX-UHFFFAOYSA-N
MW289.32 g/mol
LogP0.48
Rot. Bonds1

About 7-([1,3]thiazolo[4,5-b]pyridin-2-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione

7-([1,3]thiazolo[4,5-b]pyridin-2-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione (PubChem CID 150028881) has the molecular formula C12H11N5O2S and a molecular weight of 289.32 g/mol. Its IUPAC name is 7-([1,3]thiazolo[4,5-b]pyridin-2-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name7-([1,3]thiazolo[4,5-b]pyridin-2-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
PubChem CID150028881
Molecular FormulaC12H11N5O2S
Molecular Weight289.32 g/mol
Exact Mass289.06
IUPAC Name7-([1,3]thiazolo[4,5-b]pyridin-2-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
SMILESO=C1NC(=O)C2(CCN(c3nc4ncccc4s3)C2)N1
InChIInChI=1S/C12H11N5O2S/c18-9-12(16-10(19)15-9)3-5-17(6-12)11-14-8-7(20-11)2-1-4-13-8/h1-2,4H,3,5-6H2,(H2,15,16,18,19)
InChIKeyDGVCXMYHBXQNBX-UHFFFAOYSA-N
XLogP0.48
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-([1,3]thiazolo[4,5-b]pyridin-2-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 7-([1,3]thiazolo[4,5-b]pyridin-2-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione (CID 150028881) is 7-([1,3]thiazolo[4,5-b]pyridin-2-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 7-([1,3]thiazolo[4,5-b]pyridin-2-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 7-([1,3]thiazolo[4,5-b]pyridin-2-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione is O=C1NC(=O)C2(CCN(c3nc4ncccc4s3)C2)N1.
What is the InChIKey of 7-([1,3]thiazolo[4,5-b]pyridin-2-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The InChIKey is DGVCXMYHBXQNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O2S/c18-9-12(16-10(19)15-9)3-5-17(6-12)11-14-8-7(20-11)2-1-4-13-8/h1-2,4H,3,5-6H2,(H2,15,16,18,19).
What are the key properties of 7-([1,3]thiazolo[4,5-b]pyridin-2-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
7-([1,3]thiazolo[4,5-b]pyridin-2-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione has a molecular weight of 289.32 g/mol, XLogP of 0.48, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-([1,3]thiazolo[4,5-b]pyridin-2-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 150028881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).