8-([1,3]thiazolo[4,5-b]pyridin-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C13H13N5O2S — CID 146189668

IUPAC8-([1,3]thiazolo[4,5-b]pyridin-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC(=O)C2(CCN(c3nc4ncccc4s3)CC2)N1
InChIInChI=1S/C13H13N5O2S/c19-10-13(17-11(20)16-10)3-6-18(7-4-13)12-15-9-8(21-12)2-1-5-14-9/h1-2,5H,3-4,6-7H2,(H2,16,17,19,20)
InChIKeyZGJOBRAKUMWREZ-UHFFFAOYSA-N
MW303.35 g/mol
LogP0.87
Rot. Bonds1

About 8-([1,3]thiazolo[4,5-b]pyridin-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-([1,3]thiazolo[4,5-b]pyridin-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 146189668) has the molecular formula C13H13N5O2S and a molecular weight of 303.35 g/mol. Its IUPAC name is 8-([1,3]thiazolo[4,5-b]pyridin-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-([1,3]thiazolo[4,5-b]pyridin-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID146189668
Molecular FormulaC13H13N5O2S
Molecular Weight303.35 g/mol
Exact Mass303.08
IUPAC Name8-([1,3]thiazolo[4,5-b]pyridin-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC(=O)C2(CCN(c3nc4ncccc4s3)CC2)N1
InChIInChI=1S/C13H13N5O2S/c19-10-13(17-11(20)16-10)3-6-18(7-4-13)12-15-9-8(21-12)2-1-5-14-9/h1-2,5H,3-4,6-7H2,(H2,16,17,19,20)
InChIKeyZGJOBRAKUMWREZ-UHFFFAOYSA-N
XLogP0.87
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 50.87
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 8-([1,3]thiazolo[4,5-b]pyridin-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-([1,3]thiazolo[4,5-b]pyridin-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 146189668) is 8-([1,3]thiazolo[4,5-b]pyridin-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-([1,3]thiazolo[4,5-b]pyridin-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-([1,3]thiazolo[4,5-b]pyridin-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is O=C1NC(=O)C2(CCN(c3nc4ncccc4s3)CC2)N1.
What is the InChIKey of 8-([1,3]thiazolo[4,5-b]pyridin-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is ZGJOBRAKUMWREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O2S/c19-10-13(17-11(20)16-10)3-6-18(7-4-13)12-15-9-8(21-12)2-1-5-14-9/h1-2,5H,3-4,6-7H2,(H2,16,17,19,20).
What are the key properties of 8-([1,3]thiazolo[4,5-b]pyridin-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-([1,3]thiazolo[4,5-b]pyridin-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 303.35 g/mol, XLogP of 0.87, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-([1,3]thiazolo[4,5-b]pyridin-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 146189668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).