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

C11H11N5OS — CID 106405602

IUPAC5-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCc1ccc2[nH]c(=S)n(CCc3ncno3)c2n1
InChIInChI=1S/C11H11N5OS/c1-7-2-3-8-10(14-7)16(11(18)15-8)5-4-9-12-6-13-17-9/h2-3,6H,4-5H2,1H3,(H,15,18)
InChIKeyHKXBPARQKAQQIN-UHFFFAOYSA-N
MW261.31 g/mol
LogP2.03
Rot. Bonds3

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

5-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione (PubChem CID 106405602) has the molecular formula C11H11N5OS and a molecular weight of 261.31 g/mol. Its IUPAC name is 5-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name5-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione
PubChem CID106405602
Molecular FormulaC11H11N5OS
Molecular Weight261.31 g/mol
Exact Mass261.07
IUPAC Name5-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCc1ccc2[nH]c(=S)n(CCc3ncno3)c2n1
InChIInChI=1S/C11H11N5OS/c1-7-2-3-8-10(14-7)16(11(18)15-8)5-4-9-12-6-13-17-9/h2-3,6H,4-5H2,1H3,(H,15,18)
InChIKeyHKXBPARQKAQQIN-UHFFFAOYSA-N
XLogP2.03
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(2-fluoroethyl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 130504404
3-decyl-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 81140734
6-fluoro-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-benzimidazole-2-thione
CID 114184744
3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 106374848
5-methyl-3-[2-(oxolan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione
CID 81138282
3-[(4-bromophenyl)methyl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 81138348
5-methyl-3-(2,2,3,3-tetrafluoropropyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 106290431
5-chloro-6-fluoro-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-benzimidazole-2-thione
CID 106405596
6-chloro-5-fluoro-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-benzimidazole-2-thione
CID 106405601
3-[2-[cyclopropyl(methyl)amino]ethyl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 81138518
3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione
CID 106419432
5-methyl-3-[2-(3-methylphenoxy)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione
CID 81140426

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione?
The IUPAC name of 5-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione (CID 106405602) is 5-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 5-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione?
The canonical SMILES for 5-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione is Cc1ccc2[nH]c(=S)n(CCc3ncno3)c2n1.
What is the InChIKey of 5-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione?
The InChIKey is HKXBPARQKAQQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5OS/c1-7-2-3-8-10(14-7)16(11(18)15-8)5-4-9-12-6-13-17-9/h2-3,6H,4-5H2,1H3,(H,15,18).
What are the key properties of 5-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione?
5-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione has a molecular weight of 261.31 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 106405602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).