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

C14H10N4S — CID 81138271

IUPAC4-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)benzonitrile
SMILESCc1ccc2[nH]c(=S)n(-c3ccc(C#N)cc3)c2n1
InChIInChI=1S/C14H10N4S/c1-9-2-7-12-13(16-9)18(14(19)17-12)11-5-3-10(8-15)4-6-11/h2-7H,1H3,(H,17,19)
InChIKeyPLFVSWONOZVIAB-UHFFFAOYSA-N
MW266.33 g/mol
LogP3.26
Rot. Bonds1

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

4-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)benzonitrile (PubChem CID 81138271) has the molecular formula C14H10N4S and a molecular weight of 266.33 g/mol. Its IUPAC name is 4-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)benzonitrile.

Molecular Properties

Compound Name4-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)benzonitrile
PubChem CID81138271
Molecular FormulaC14H10N4S
Molecular Weight266.33 g/mol
Exact Mass266.06
IUPAC Name4-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)benzonitrile
SMILESCc1ccc2[nH]c(=S)n(-c3ccc(C#N)cc3)c2n1
InChIInChI=1S/C14H10N4S/c1-9-2-7-12-13(16-9)18(14(19)17-12)11-5-3-10(8-15)4-6-11/h2-7H,1H3,(H,17,19)
InChIKeyPLFVSWONOZVIAB-UHFFFAOYSA-N
XLogP3.26
TPSA57.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 4-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)benzonitrile?
The IUPAC name of 4-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)benzonitrile (CID 81138271) is 4-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)benzonitrile.
What is the SMILES notation for 4-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)benzonitrile?
The canonical SMILES for 4-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)benzonitrile is Cc1ccc2[nH]c(=S)n(-c3ccc(C#N)cc3)c2n1.
What is the InChIKey of 4-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)benzonitrile?
The InChIKey is PLFVSWONOZVIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4S/c1-9-2-7-12-13(16-9)18(14(19)17-12)11-5-3-10(8-15)4-6-11/h2-7H,1H3,(H,17,19).
What are the key properties of 4-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)benzonitrile?
4-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)benzonitrile has a molecular weight of 266.33 g/mol, XLogP of 3.26, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-2-sulfanylidene-1H-imidazo[4,5-b]pyridin-3-yl)benzonitrile is sourced from PubChem (CID 81138271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).