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

C15H14FN3S — CID 81138280

IUPAC3-[1-(3-fluorophenyl)ethyl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCc1ccc2[nH]c(=S)n(C(C)c3cccc(F)c3)c2n1
InChIInChI=1S/C15H14FN3S/c1-9-6-7-13-14(17-9)19(15(20)18-13)10(2)11-4-3-5-12(16)8-11/h3-8,10H,1-2H3,(H,18,20)
InChIKeyFKDLZNLWYFEUAS-UHFFFAOYSA-N
MW287.36 g/mol
LogP4.15
Rot. Bonds2

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

3-[1-(3-fluorophenyl)ethyl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione (PubChem CID 81138280) has the molecular formula C15H14FN3S and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-[1-(3-fluorophenyl)ethyl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione.

Molecular Properties

Compound Name3-[1-(3-fluorophenyl)ethyl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
PubChem CID81138280
Molecular FormulaC15H14FN3S
Molecular Weight287.36 g/mol
Exact Mass287.09
IUPAC Name3-[1-(3-fluorophenyl)ethyl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
SMILESCc1ccc2[nH]c(=S)n(C(C)c3cccc(F)c3)c2n1
InChIInChI=1S/C15H14FN3S/c1-9-6-7-13-14(17-9)19(15(20)18-13)10(2)11-4-3-5-12(16)8-11/h3-8,10H,1-2H3,(H,18,20)
InChIKeyFKDLZNLWYFEUAS-UHFFFAOYSA-N
XLogP4.15
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 54.15
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-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 81138510
3-(1-methoxypropan-2-yl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 81138578
3-(2,6-difluorophenyl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 81138584
7-chloro-3-[1-(3-fluorophenyl)ethyl]-1H-benzimidazole-2-thione
CID 104836351
3-[1-(furan-2-yl)propan-2-yl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 81138432
3-(2-chloro-5-fluorophenyl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 107529228
3-(2-fluoroethyl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 130504404
3-(2,6-dichlorophenyl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 81138996
3-[(3-bromophenyl)methyl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 81138668
3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-fluoro-1H-benzimidazole-2-thione
CID 62378549
(3-fluorophenyl)-(6-methyl-2-pyridinyl)methanol
CID 63554167
3-(3-ethoxyphenyl)-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 81138281

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-fluorophenyl)ethyl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The IUPAC name of 3-[1-(3-fluorophenyl)ethyl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione (CID 81138280) is 3-[1-(3-fluorophenyl)ethyl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione.
What is the SMILES notation for 3-[1-(3-fluorophenyl)ethyl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The canonical SMILES for 3-[1-(3-fluorophenyl)ethyl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione is Cc1ccc2[nH]c(=S)n(C(C)c3cccc(F)c3)c2n1.
What is the InChIKey of 3-[1-(3-fluorophenyl)ethyl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
The InChIKey is FKDLZNLWYFEUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3S/c1-9-6-7-13-14(17-9)19(15(20)18-13)10(2)11-4-3-5-12(16)8-11/h3-8,10H,1-2H3,(H,18,20).
What are the key properties of 3-[1-(3-fluorophenyl)ethyl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione?
3-[1-(3-fluorophenyl)ethyl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione has a molecular weight of 287.36 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-fluorophenyl)ethyl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione is sourced from PubChem (CID 81138280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).