2,2-dimethyl-5-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)thiomorpholin-3-one

C13H18N4O2S — CID 72928262

IUPAC2,2-dimethyl-5-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)thiomorpholin-3-one
SMILESCC1(C)SCC(C(=O)N2CCc3nc[nH]c3C2)NC1=O
InChIInChI=1S/C13H18N4O2S/c1-13(2)12(19)16-10(6-20-13)11(18)17-4-3-8-9(5-17)15-7-14-8/h7,10H,3-6H2,1-2H3,(H,14,15)(H,16,19)
InChIKeyWCJWCGVZWWVZHK-UHFFFAOYSA-N
MW294.38 g/mol
LogP0.30
Rot. Bonds1

About 2,2-dimethyl-5-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)thiomorpholin-3-one

2,2-dimethyl-5-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)thiomorpholin-3-one (PubChem CID 72928262) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 2,2-dimethyl-5-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)thiomorpholin-3-one.

Molecular Properties

Compound Name2,2-dimethyl-5-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)thiomorpholin-3-one
PubChem CID72928262
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name2,2-dimethyl-5-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)thiomorpholin-3-one
SMILESCC1(C)SCC(C(=O)N2CCc3nc[nH]c3C2)NC1=O
InChIInChI=1S/C13H18N4O2S/c1-13(2)12(19)16-10(6-20-13)11(18)17-4-3-8-9(5-17)15-7-14-8/h7,10H,3-6H2,1-2H3,(H,14,15)(H,16,19)
InChIKeyWCJWCGVZWWVZHK-UHFFFAOYSA-N
XLogP0.30
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,2-dimethyl-5-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)thiomorpholin-3-one with MolForge

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Related Compounds

N-(1-ethylpiperidin-4-yl)-2-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)acetamide
CID 53567332
2-(1-cyclopropyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-N-(1-ethylpiperidin-4-yl)acetamide
CID 53568986
N-[3-(cyclohexylthio)propyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
CID 70774438
1'-[3-(Methylsulfonyl)propanoyl]-5-propionyl-1,5,6,7-tetrahydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidine]
CID 72898668
1-{1H,4H,5H,6H,7H-Imidazo[4,5-C]pyridin-5-YL}-3-methylbutan-1-one
CID 53145211
2,2-Dimethyl-1-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one
CID 53145238
5-{[1-(methoxyacetyl)-4-methylpiperazin-2-yl]carbonyl}-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
CID 72920828
methyl [1-methyl-2-oxo-2-(1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl)ethyl]carbamate (non-preferred name)
CID 72939847
5-Acetyl-1'-{[(trifluoromethyl)thio]acetyl}-1,5,6,7-tetrahydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidine]
CID 72858475
2-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-N-[2-(3-methylpiperidin-1-yl)ethyl]acetamide
CID 53194848
5-(Cyclobutylcarbonyl)-1'-[3-(ethylthio)propanoyl]-1,5,6,7-tetrahydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidine]
CID 72933295
5-Propionyl-1'-[(propylthio)acetyl]-1,5,6,7-tetrahydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidine]
CID 72937269

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)thiomorpholin-3-one?
The IUPAC name of 2,2-dimethyl-5-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)thiomorpholin-3-one (CID 72928262) is 2,2-dimethyl-5-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)thiomorpholin-3-one.
What is the SMILES notation for 2,2-dimethyl-5-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)thiomorpholin-3-one?
The canonical SMILES for 2,2-dimethyl-5-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)thiomorpholin-3-one is CC1(C)SCC(C(=O)N2CCc3nc[nH]c3C2)NC1=O.
What is the InChIKey of 2,2-dimethyl-5-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)thiomorpholin-3-one?
The InChIKey is WCJWCGVZWWVZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-13(2)12(19)16-10(6-20-13)11(18)17-4-3-8-9(5-17)15-7-14-8/h7,10H,3-6H2,1-2H3,(H,14,15)(H,16,19).
What are the key properties of 2,2-dimethyl-5-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)thiomorpholin-3-one?
2,2-dimethyl-5-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)thiomorpholin-3-one has a molecular weight of 294.38 g/mol, XLogP of 0.30, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)thiomorpholin-3-one is sourced from PubChem (CID 72928262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).