3-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)piperidine-2,6-dione

C12H12N4O2S — CID 81138605

IUPAC3-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)piperidine-2,6-dione
SMILESCc1ccc2[nH]c(=S)n(C3CCC(=O)NC3=O)c2n1
InChIInChI=1S/C12H12N4O2S/c1-6-2-3-7-10(13-6)16(12(19)14-7)8-4-5-9(17)15-11(8)18/h2-3,8H,4-5H2,1H3,(H,14,19)(H,15,17,18)
InChIKeyWSHZACNMZOHIBV-UHFFFAOYSA-N
MW276.32 g/mol
LogP1.38
Rot. Bonds1

About 3-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)piperidine-2,6-dione

3-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)piperidine-2,6-dione (PubChem CID 81138605) has the molecular formula C12H12N4O2S and a molecular weight of 276.32 g/mol. Its IUPAC name is 3-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)piperidine-2,6-dione
PubChem CID81138605
Molecular FormulaC12H12N4O2S
Molecular Weight276.32 g/mol
Exact Mass276.07
IUPAC Name3-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)piperidine-2,6-dione
SMILESCc1ccc2[nH]c(=S)n(C3CCC(=O)NC3=O)c2n1
InChIInChI=1S/C12H12N4O2S/c1-6-2-3-7-10(13-6)16(12(19)14-7)8-4-5-9(17)15-11(8)18/h2-3,8H,4-5H2,1H3,(H,14,19)(H,15,17,18)
InChIKeyWSHZACNMZOHIBV-UHFFFAOYSA-N
XLogP1.38
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)piperidine-2,6-dione with MolForge

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Related Compounds

3-(5-fluoro-6-methyl-2-sulfanylidene-3H-benzimidazol-1-yl)piperidine-2,6-dione
CID 103592373
3-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]piperidine-2,6-dione
CID 79280501
(3S)-3-(3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione
CID 166733310
3-(4-ethyl-2-sulfanylidene-1H-imidazol-3-yl)piperidine-2,6-dione
CID 81335588
3-(6-amino-2-oxo-3H-benzimidazol-1-yl)piperidine-2,6-dione
CID 110491555
3-[2-[cyclopropyl(methyl)amino]ethyl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 81138518
3-(5-hydroxy-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 146598490
N-cyclopropyl-3-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)propanamide
CID 81138143
3-(5-bromo-2-methylindol-1-yl)piperidine-2,6-dione
CID 167470600
3-(3,7-dimethyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione
CID 156836715
3-(3-cyclopropyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione
CID 138496531
3-(6-bromo-2-methyl-4-oxoquinazolin-3-yl)piperidine-2,6-dione
CID 25235686

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)piperidine-2,6-dione?
The IUPAC name of 3-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)piperidine-2,6-dione (CID 81138605) is 3-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)piperidine-2,6-dione is Cc1ccc2[nH]c(=S)n(C3CCC(=O)NC3=O)c2n1.
What is the InChIKey of 3-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)piperidine-2,6-dione?
The InChIKey is WSHZACNMZOHIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2S/c1-6-2-3-7-10(13-6)16(12(19)14-7)8-4-5-9(17)15-11(8)18/h2-3,8H,4-5H2,1H3,(H,14,19)(H,15,17,18).
What are the key properties of 3-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)piperidine-2,6-dione?
3-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)piperidine-2,6-dione has a molecular weight of 276.32 g/mol, XLogP of 1.38, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)piperidine-2,6-dione is sourced from PubChem (CID 81138605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).