3-methylidene-7-(5-tritio-[1,3]thiazolo[4,5-b]pyridin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one;3-methylidene-7-(6-tritio-[1,3]thiazolo[4,5-b]pyridin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one

C28H28N8O2S2 — CID 159627203

IUPAC3-methylidene-7-(5-tritio-[1,3]thiazolo[4,5-b]pyridin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one;3-methylidene-7-(6-tritio-[1,3]thiazolo[4,5-b]pyridin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one
SMILES[3H]c1ccc2sc(N3CCC4(CC(=C)NC4=O)C3)nc2n1.[3H]c1cnc2nc(N3CCC4(CC(=C)NC4=O)C3)sc2c1
InChIInChI=1S/2C14H14N4OS/c2*1-9-7-14(12(19)16-9)4-6-18(8-14)13-17-11-10(20-13)3-2-5-15-11/h2*2-3,5H,1,4,6-8H2,(H,16,19)/i5T;2T
InChIKeyMOQPBRXYFIPEFX-FDEXWSJESA-N
MW576.74 g/mol
LogP3.84
Rot. Bonds2

About 3-methylidene-7-(5-tritio-[1,3]thiazolo[4,5-b]pyridin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one;3-methylidene-7-(6-tritio-[1,3]thiazolo[4,5-b]pyridin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one

3-methylidene-7-(5-tritio-[1,3]thiazolo[4,5-b]pyridin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one;3-methylidene-7-(6-tritio-[1,3]thiazolo[4,5-b]pyridin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 159627203) has the molecular formula C28H28N8O2S2 and a molecular weight of 576.74 g/mol. Its IUPAC name is 3-methylidene-7-(5-tritio-[1,3]thiazolo[4,5-b]pyridin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one;3-methylidene-7-(6-tritio-[1,3]thiazolo[4,5-b]pyridin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name3-methylidene-7-(5-tritio-[1,3]thiazolo[4,5-b]pyridin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one;3-methylidene-7-(6-tritio-[1,3]thiazolo[4,5-b]pyridin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID159627203
Molecular FormulaC28H28N8O2S2
Molecular Weight576.74 g/mol
Exact Mass576.19
IUPAC Name3-methylidene-7-(5-tritio-[1,3]thiazolo[4,5-b]pyridin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one;3-methylidene-7-(6-tritio-[1,3]thiazolo[4,5-b]pyridin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one
SMILES[3H]c1ccc2sc(N3CCC4(CC(=C)NC4=O)C3)nc2n1.[3H]c1cnc2nc(N3CCC4(CC(=C)NC4=O)C3)sc2c1
InChIInChI=1S/2C14H14N4OS/c2*1-9-7-14(12(19)16-9)4-6-18(8-14)13-17-11-10(20-13)3-2-5-15-11/h2*2-3,5H,1,4,6-8H2,(H,16,19)/i5T;2T
InChIKeyMOQPBRXYFIPEFX-FDEXWSJESA-N
XLogP3.84
TPSA116.24 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500576.74
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 3-methylidene-7-(5-tritio-[1,3]thiazolo[4,5-b]pyridin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one;3-methylidene-7-(6-tritio-[1,3]thiazolo[4,5-b]pyridin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one with MolForge

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Related Compounds

US11584748, Example 7
CID 146198297
US11584748, Example 68
CID 146189664
US11584748, Example 62
CID 146189668
US11623929, Example 8
CID 150028881
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
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
3-(propan-2-ylamino)-N-[3-([1,3]thiazolo[4,5-b]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide;dihydrochloride
CID 124108295
3-(propan-2-ylamino)-N-[3-([1,3]thiazolo[4,5-b]pyridin-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl]propanamide
CID 124108296
7-([1,3]Thiazolo[4,5-b]pyridin-2-yl)-2,7-diazaspiro[4.4]nonane-1,3-dione
CID 156142293
7-([1,3]Thiazolo[4,5-b]pyridine-2-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 156142303
7-([1,3]Thiazolo[4,5-b]pyridine-2-carbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione
CID 156142312

Frequently Asked Questions

What is the IUPAC name of 3-methylidene-7-(5-tritio-[1,3]thiazolo[4,5-b]pyridin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one;3-methylidene-7-(6-tritio-[1,3]thiazolo[4,5-b]pyridin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of 3-methylidene-7-(5-tritio-[1,3]thiazolo[4,5-b]pyridin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one;3-methylidene-7-(6-tritio-[1,3]thiazolo[4,5-b]pyridin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one (CID 159627203) is 3-methylidene-7-(5-tritio-[1,3]thiazolo[4,5-b]pyridin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one;3-methylidene-7-(6-tritio-[1,3]thiazolo[4,5-b]pyridin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for 3-methylidene-7-(5-tritio-[1,3]thiazolo[4,5-b]pyridin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one;3-methylidene-7-(6-tritio-[1,3]thiazolo[4,5-b]pyridin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for 3-methylidene-7-(5-tritio-[1,3]thiazolo[4,5-b]pyridin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one;3-methylidene-7-(6-tritio-[1,3]thiazolo[4,5-b]pyridin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one is [3H]c1ccc2sc(N3CCC4(CC(=C)NC4=O)C3)nc2n1.[3H]c1cnc2nc(N3CCC4(CC(=C)NC4=O)C3)sc2c1.
What is the InChIKey of 3-methylidene-7-(5-tritio-[1,3]thiazolo[4,5-b]pyridin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one;3-methylidene-7-(6-tritio-[1,3]thiazolo[4,5-b]pyridin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is MOQPBRXYFIPEFX-FDEXWSJESA-N. The full InChI is InChI=1S/2C14H14N4OS/c2*1-9-7-14(12(19)16-9)4-6-18(8-14)13-17-11-10(20-13)3-2-5-15-11/h2*2-3,5H,1,4,6-8H2,(H,16,19)/i5T;2T.
What are the key properties of 3-methylidene-7-(5-tritio-[1,3]thiazolo[4,5-b]pyridin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one;3-methylidene-7-(6-tritio-[1,3]thiazolo[4,5-b]pyridin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one?
3-methylidene-7-(5-tritio-[1,3]thiazolo[4,5-b]pyridin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one;3-methylidene-7-(6-tritio-[1,3]thiazolo[4,5-b]pyridin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 576.74 g/mol, XLogP of 3.84, 2 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-7-(5-tritio-[1,3]thiazolo[4,5-b]pyridin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one;3-methylidene-7-(6-tritio-[1,3]thiazolo[4,5-b]pyridin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 159627203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).