2-([1,3]thiazolo[4,5-c]pyridin-2-yl)-2,7-diazaspiro[4.5]decane-6,8-dione

C14H14N4O2S — CID 146198240

IUPAC2-([1,3]thiazolo[4,5-c]pyridin-2-yl)-2,7-diazaspiro[4.5]decane-6,8-dione
SMILESO=C1CCC2(CCN(c3nc4cnccc4s3)C2)C(=O)N1
InChIInChI=1S/C14H14N4O2S/c19-11-1-3-14(12(20)17-11)4-6-18(8-14)13-16-9-7-15-5-2-10(9)21-13/h2,5,7H,1,3-4,6,8H2,(H,17,19,20)
InChIKeyAENLBVHUZYBTFQ-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.32
Rot. Bonds1

About 2-([1,3]thiazolo[4,5-c]pyridin-2-yl)-2,7-diazaspiro[4.5]decane-6,8-dione

2-([1,3]thiazolo[4,5-c]pyridin-2-yl)-2,7-diazaspiro[4.5]decane-6,8-dione (PubChem CID 146198240) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is 2-([1,3]thiazolo[4,5-c]pyridin-2-yl)-2,7-diazaspiro[4.5]decane-6,8-dione.

Molecular Properties

Compound Name2-([1,3]thiazolo[4,5-c]pyridin-2-yl)-2,7-diazaspiro[4.5]decane-6,8-dione
PubChem CID146198240
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC Name2-([1,3]thiazolo[4,5-c]pyridin-2-yl)-2,7-diazaspiro[4.5]decane-6,8-dione
SMILESO=C1CCC2(CCN(c3nc4cnccc4s3)C2)C(=O)N1
InChIInChI=1S/C14H14N4O2S/c19-11-1-3-14(12(20)17-11)4-6-18(8-14)13-16-9-7-15-5-2-10(9)21-13/h2,5,7H,1,3-4,6,8H2,(H,17,19,20)
InChIKeyAENLBVHUZYBTFQ-UHFFFAOYSA-N
XLogP1.32
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-([1,3]thiazolo[4,5-c]pyridin-2-yl)-2,7-diazaspiro[4.5]decane-6,8-dione?
The IUPAC name of 2-([1,3]thiazolo[4,5-c]pyridin-2-yl)-2,7-diazaspiro[4.5]decane-6,8-dione (CID 146198240) is 2-([1,3]thiazolo[4,5-c]pyridin-2-yl)-2,7-diazaspiro[4.5]decane-6,8-dione.
What is the SMILES notation for 2-([1,3]thiazolo[4,5-c]pyridin-2-yl)-2,7-diazaspiro[4.5]decane-6,8-dione?
The canonical SMILES for 2-([1,3]thiazolo[4,5-c]pyridin-2-yl)-2,7-diazaspiro[4.5]decane-6,8-dione is O=C1CCC2(CCN(c3nc4cnccc4s3)C2)C(=O)N1.
What is the InChIKey of 2-([1,3]thiazolo[4,5-c]pyridin-2-yl)-2,7-diazaspiro[4.5]decane-6,8-dione?
The InChIKey is AENLBVHUZYBTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S/c19-11-1-3-14(12(20)17-11)4-6-18(8-14)13-16-9-7-15-5-2-10(9)21-13/h2,5,7H,1,3-4,6,8H2,(H,17,19,20).
What are the key properties of 2-([1,3]thiazolo[4,5-c]pyridin-2-yl)-2,7-diazaspiro[4.5]decane-6,8-dione?
2-([1,3]thiazolo[4,5-c]pyridin-2-yl)-2,7-diazaspiro[4.5]decane-6,8-dione has a molecular weight of 302.36 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-([1,3]thiazolo[4,5-c]pyridin-2-yl)-2,7-diazaspiro[4.5]decane-6,8-dione is sourced from PubChem (CID 146198240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).