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

C14H14N4O2S — CID 146189664

IUPAC8-([1,3]thiazolo[4,5-b]pyridin-2-yl)-2,8-diazaspiro[4.5]decane-1,3-dione
SMILESO=C1CC2(CCN(c3nc4ncccc4s3)CC2)C(=O)N1
InChIInChI=1S/C14H14N4O2S/c19-10-8-14(12(20)16-10)3-6-18(7-4-14)13-17-11-9(21-13)2-1-5-15-11/h1-2,5H,3-4,6-8H2,(H,16,19,20)
InChIKeyPQWDONLBEMBXRA-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.32
Rot. Bonds1

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

8-([1,3]thiazolo[4,5-b]pyridin-2-yl)-2,8-diazaspiro[4.5]decane-1,3-dione (PubChem CID 146189664) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is 8-([1,3]thiazolo[4,5-b]pyridin-2-yl)-2,8-diazaspiro[4.5]decane-1,3-dione.

Molecular Properties

Compound Name8-([1,3]thiazolo[4,5-b]pyridin-2-yl)-2,8-diazaspiro[4.5]decane-1,3-dione
PubChem CID146189664
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC Name8-([1,3]thiazolo[4,5-b]pyridin-2-yl)-2,8-diazaspiro[4.5]decane-1,3-dione
SMILESO=C1CC2(CCN(c3nc4ncccc4s3)CC2)C(=O)N1
InChIInChI=1S/C14H14N4O2S/c19-10-8-14(12(20)16-10)3-6-18(7-4-14)13-17-11-9(21-13)2-1-5-15-11/h1-2,5H,3-4,6-8H2,(H,16,19,20)
InChIKeyPQWDONLBEMBXRA-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'}

Analyze 8-([1,3]thiazolo[4,5-b]pyridin-2-yl)-2,8-diazaspiro[4.5]decane-1,3-dione with MolForge

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Related Compounds

US11584748, Example 7
CID 146198297
US10793582, Example 134
CID 139355596
US11584748, Example 62
CID 146189668
US11584748, Example 20
CID 146198240
US11623929, Example 8
CID 150028881
N-[2-[2-[(5-acetamido-3-methyl-[1,3]thiazolo[4,5-b]pyridin-3-ium-2-yl)methylidene]butylidene]-3-methyl-[1,3]thiazolo[4,5-b]pyridin-5-yl]acetamide
CID 58996182
N-[(2Z)-2-[(2E)-2-[(5-acetamido-3-methyl-[1,3]thiazolo[4,5-b]pyridin-3-ium-2-yl)methylidene]butylidene]-3-methyl-[1,3]thiazolo[4,5-b]pyridin-5-yl]acetamide
CID 59893281
N-[2-[3-(3,4-dimethyl-[1,3]thiazolo[4,5-b]pyridine-3,4-diium-2-yl)prop-2-enylidene]-3,4-dimethyl-[1,3]thiazolo[4,5-b]pyridin-4-ium-5-yl]acetamide
CID 60128198
3,3-dimethyl-N-[3-(5-methyl-1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-2-yl]butanamide
CID 66991749
Thiazolo[4,5-b]pyridine,2-(1-piperazinyl)-
CID 70274211
7,7-Dimethyl-5-[3-([1,3]thiazolo[4,5-b]pyridin-2-ylamino)cyclobutyl]pyrrolo[2,3-b]pyrazin-6-one
CID 89763651
3,3-Dimethyl-1-[3-([1,3]thiazolo[4,5-b]pyridin-2-ylamino)cyclobutyl]pyrrolo[2,3-b]pyridin-2-one
CID 89763687

Frequently Asked Questions

What is the IUPAC name of 8-([1,3]thiazolo[4,5-b]pyridin-2-yl)-2,8-diazaspiro[4.5]decane-1,3-dione?
The IUPAC name of 8-([1,3]thiazolo[4,5-b]pyridin-2-yl)-2,8-diazaspiro[4.5]decane-1,3-dione (CID 146189664) is 8-([1,3]thiazolo[4,5-b]pyridin-2-yl)-2,8-diazaspiro[4.5]decane-1,3-dione.
What is the SMILES notation for 8-([1,3]thiazolo[4,5-b]pyridin-2-yl)-2,8-diazaspiro[4.5]decane-1,3-dione?
The canonical SMILES for 8-([1,3]thiazolo[4,5-b]pyridin-2-yl)-2,8-diazaspiro[4.5]decane-1,3-dione is O=C1CC2(CCN(c3nc4ncccc4s3)CC2)C(=O)N1.
What is the InChIKey of 8-([1,3]thiazolo[4,5-b]pyridin-2-yl)-2,8-diazaspiro[4.5]decane-1,3-dione?
The InChIKey is PQWDONLBEMBXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S/c19-10-8-14(12(20)16-10)3-6-18(7-4-14)13-17-11-9(21-13)2-1-5-15-11/h1-2,5H,3-4,6-8H2,(H,16,19,20).
What are the key properties of 8-([1,3]thiazolo[4,5-b]pyridin-2-yl)-2,8-diazaspiro[4.5]decane-1,3-dione?
8-([1,3]thiazolo[4,5-b]pyridin-2-yl)-2,8-diazaspiro[4.5]decane-1,3-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 8-([1,3]thiazolo[4,5-b]pyridin-2-yl)-2,8-diazaspiro[4.5]decane-1,3-dione is sourced from PubChem (CID 146189664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).