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

C9H10FN3S — CID 130504404

IUPAC3-(2-fluoroethyl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCc1ccc2[nH]c(=S)n(CCF)c2n1
InChIInChI=1S/C9H10FN3S/c1-6-2-3-7-8(11-6)13(5-4-10)9(14)12-7/h2-3H,4-5H2,1H3,(H,12,14)
InChIKeyCQYKJYGYWKIATH-UHFFFAOYSA-N
MW211.26 g/mol
LogP2.37
Rot. Bonds2

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

3-(2-fluoroethyl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione (PubChem CID 130504404) has the molecular formula C9H10FN3S and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-(2-fluoroethyl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name3-(2-fluoroethyl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
PubChem CID130504404
Molecular FormulaC9H10FN3S
Molecular Weight211.26 g/mol
Exact Mass211.06
IUPAC Name3-(2-fluoroethyl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCc1ccc2[nH]c(=S)n(CCF)c2n1
InChIInChI=1S/C9H10FN3S/c1-6-2-3-7-8(11-6)13(5-4-10)9(14)12-7/h2-3H,4-5H2,1H3,(H,12,14)
InChIKeyCQYKJYGYWKIATH-UHFFFAOYSA-N
XLogP2.37
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-decyl-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 81140734
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
3-[2-[cyclopropyl(methyl)amino]ethyl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 81138518
5-methyl-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-imidazo[4,5-b]pyridine-2-thione
CID 106019587
3-(2,2-dicyclopropylethyl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 81138142
3-[(2-chlorophenyl)methyl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 81138495
3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 106374848
3-[2-[cyclopentyl(methyl)amino]ethyl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 81138679
5-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione
CID 106405602
5-methyl-3-[(1-methylpyrrolidin-3-yl)methyl]-1H-imidazo[4,5-b]pyridine-2-thione
CID 81138899
5-methyl-3-[2-(oxolan-2-yl)ethyl]-1H-imidazo[4,5-b]pyridine-2-thione
CID 81138282

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoroethyl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The IUPAC name of 3-(2-fluoroethyl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione (CID 130504404) is 3-(2-fluoroethyl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 3-(2-fluoroethyl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The canonical SMILES for 3-(2-fluoroethyl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione is Cc1ccc2[nH]c(=S)n(CCF)c2n1.
What is the InChIKey of 3-(2-fluoroethyl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The InChIKey is CQYKJYGYWKIATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN3S/c1-6-2-3-7-8(11-6)13(5-4-10)9(14)12-7/h2-3H,4-5H2,1H3,(H,12,14).
What are the key properties of 3-(2-fluoroethyl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
3-(2-fluoroethyl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione has a molecular weight of 211.26 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroethyl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 130504404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).