5-(3,5-dimethyl-4-pyridinyl)-1,3-dihydroimidazo[4,5-b]pyridine-2-thione

C13H12N4S — CID 20550300

IUPAC5-(3,5-dimethyl-4-pyridinyl)-1,3-dihydroimidazo[4,5-b]pyridine-2-thione
SMILESCc1cncc(C)c1-c1ccc2[nH]c(=S)[nH]c2n1
InChIInChI=1S/C13H12N4S/c1-7-5-14-6-8(2)11(7)9-3-4-10-12(15-9)17-13(18)16-10/h3-6H,1-2H3,(H2,15,16,17,18)
InChIKeyXUVBJGCAUWBJDY-UHFFFAOYSA-N
MW256.33 g/mol
LogP3.30
Rot. Bonds1

About 5-(3,5-dimethyl-4-pyridinyl)-1,3-dihydroimidazo[4,5-b]pyridine-2-thione

5-(3,5-dimethyl-4-pyridinyl)-1,3-dihydroimidazo[4,5-b]pyridine-2-thione (PubChem CID 20550300) has the molecular formula C13H12N4S and a molecular weight of 256.33 g/mol. Its IUPAC name is 5-(3,5-dimethyl-4-pyridinyl)-1,3-dihydroimidazo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name5-(3,5-dimethyl-4-pyridinyl)-1,3-dihydroimidazo[4,5-b]pyridine-2-thione
PubChem CID20550300
Molecular FormulaC13H12N4S
Molecular Weight256.33 g/mol
Exact Mass256.08
IUPAC Name5-(3,5-dimethyl-4-pyridinyl)-1,3-dihydroimidazo[4,5-b]pyridine-2-thione
SMILESCc1cncc(C)c1-c1ccc2[nH]c(=S)[nH]c2n1
InChIInChI=1S/C13H12N4S/c1-7-5-14-6-8(2)11(7)9-3-4-10-12(15-9)17-13(18)16-10/h3-6H,1-2H3,(H2,15,16,17,18)
InChIKeyXUVBJGCAUWBJDY-UHFFFAOYSA-N
XLogP3.30
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethyl-4-pyridinyl)-1,3-dihydroimidazo[4,5-b]pyridine-2-thione?
The IUPAC name of 5-(3,5-dimethyl-4-pyridinyl)-1,3-dihydroimidazo[4,5-b]pyridine-2-thione (CID 20550300) is 5-(3,5-dimethyl-4-pyridinyl)-1,3-dihydroimidazo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 5-(3,5-dimethyl-4-pyridinyl)-1,3-dihydroimidazo[4,5-b]pyridine-2-thione?
The canonical SMILES for 5-(3,5-dimethyl-4-pyridinyl)-1,3-dihydroimidazo[4,5-b]pyridine-2-thione is Cc1cncc(C)c1-c1ccc2[nH]c(=S)[nH]c2n1.
What is the InChIKey of 5-(3,5-dimethyl-4-pyridinyl)-1,3-dihydroimidazo[4,5-b]pyridine-2-thione?
The InChIKey is XUVBJGCAUWBJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4S/c1-7-5-14-6-8(2)11(7)9-3-4-10-12(15-9)17-13(18)16-10/h3-6H,1-2H3,(H2,15,16,17,18).
What are the key properties of 5-(3,5-dimethyl-4-pyridinyl)-1,3-dihydroimidazo[4,5-b]pyridine-2-thione?
5-(3,5-dimethyl-4-pyridinyl)-1,3-dihydroimidazo[4,5-b]pyridine-2-thione has a molecular weight of 256.33 g/mol, XLogP of 3.30, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethyl-4-pyridinyl)-1,3-dihydroimidazo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 20550300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).