6-chloro-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione

C11H10ClN5OS — CID 106419422

IUPAC6-chloro-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCc1nc(CCn2c(=S)[nH]c3cc(Cl)cnc32)no1
InChIInChI=1S/C11H10ClN5OS/c1-6-14-9(16-18-6)2-3-17-10-8(15-11(17)19)4-7(12)5-13-10/h4-5H,2-3H2,1H3,(H,15,19)
InChIKeyFBCCPPLEJZEEGA-UHFFFAOYSA-N
MW295.75 g/mol
LogP2.68
Rot. Bonds3

About 6-chloro-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione

6-chloro-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione (PubChem CID 106419422) has the molecular formula C11H10ClN5OS and a molecular weight of 295.75 g/mol. Its IUPAC name is 6-chloro-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name6-chloro-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione
PubChem CID106419422
Molecular FormulaC11H10ClN5OS
Molecular Weight295.75 g/mol
Exact Mass295.03
IUPAC Name6-chloro-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCc1nc(CCn2c(=S)[nH]c3cc(Cl)cnc32)no1
InChIInChI=1S/C11H10ClN5OS/c1-6-14-9(16-18-6)2-3-17-10-8(15-11(17)19)4-7(12)5-13-10/h4-5H,2-3H2,1H3,(H,15,19)
InChIKeyFBCCPPLEJZEEGA-UHFFFAOYSA-N
XLogP2.68
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.75
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 6-chloro-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione?
The IUPAC name of 6-chloro-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione (CID 106419422) is 6-chloro-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 6-chloro-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione?
The canonical SMILES for 6-chloro-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione is Cc1nc(CCn2c(=S)[nH]c3cc(Cl)cnc32)no1.
What is the InChIKey of 6-chloro-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione?
The InChIKey is FBCCPPLEJZEEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN5OS/c1-6-14-9(16-18-6)2-3-17-10-8(15-11(17)19)4-7(12)5-13-10/h4-5H,2-3H2,1H3,(H,15,19).
What are the key properties of 6-chloro-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione?
6-chloro-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione has a molecular weight of 295.75 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 106419422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).