7-(2-fluoro-4-methylphenoxy)-2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridine

C18H14FN3OS — CID 126590233

IUPAC7-(2-fluoro-4-methylphenoxy)-2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridine
SMILESCc1ccc(Oc2ccnc3cc(-c4nccn4C)sc23)c(F)c1
InChIInChI=1S/C18H14FN3OS/c1-11-3-4-14(12(19)9-11)23-15-5-6-20-13-10-16(24-17(13)15)18-21-7-8-22(18)2/h3-10H,1-2H3
InChIKeyHIILBYJXZNXNJZ-UHFFFAOYSA-N
MW339.40 g/mol
LogP4.94
Rot. Bonds3

About 7-(2-fluoro-4-methylphenoxy)-2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridine

7-(2-fluoro-4-methylphenoxy)-2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridine (PubChem CID 126590233) has the molecular formula C18H14FN3OS and a molecular weight of 339.40 g/mol. Its IUPAC name is 7-(2-fluoro-4-methylphenoxy)-2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridine.

Molecular Properties

Compound Name7-(2-fluoro-4-methylphenoxy)-2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridine
PubChem CID126590233
Molecular FormulaC18H14FN3OS
Molecular Weight339.40 g/mol
Exact Mass339.08
IUPAC Name7-(2-fluoro-4-methylphenoxy)-2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridine
SMILESCc1ccc(Oc2ccnc3cc(-c4nccn4C)sc23)c(F)c1
InChIInChI=1S/C18H14FN3OS/c1-11-3-4-14(12(19)9-11)23-15-5-6-20-13-10-16(24-17(13)15)18-21-7-8-22(18)2/h3-10H,1-2H3
InChIKeyHIILBYJXZNXNJZ-UHFFFAOYSA-N
XLogP4.94
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-(2-fluoro-4-methylphenoxy)-2-(1-methyl-4,5-dihydroazepin-2-yl)thieno[3,2-b]pyridine
CID 126589921
N-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 58790375
2-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N'-phenylpropanediamide
CID 66649311
2-fluoro-N-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-4-phenylbenzamide
CID 59684956
methyl 4-[[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]carbamothioylamino]-4-oxobutanoate
CID 89360847
N'-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2-methyl-N'-phenylpropanediamide
CID 56952158
N-carbamothioyl-N-[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-2-(4-fluorophenyl)acetamide
CID 87648400
N-[[3-fluoro-4-[2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]carbamothioyl]-2-phenylacetamide
CID 11713310
3-fluoro-4-[2-(3-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline
CID 59424431
3-fluoro-4-[2-(1-methylindol-5-yl)thieno[3,2-b]pyridin-7-yl]oxyaniline
CID 141490421
3-fluoro-4-(2-methylthieno[3,2-b]pyridin-7-yl)oxyaniline
CID 67471953
methyl 2-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]-3-methylimidazole-4-carboxylate
CID 59424445

Frequently Asked Questions

What is the IUPAC name of 7-(2-fluoro-4-methylphenoxy)-2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridine?
The IUPAC name of 7-(2-fluoro-4-methylphenoxy)-2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridine (CID 126590233) is 7-(2-fluoro-4-methylphenoxy)-2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridine.
What is the SMILES notation for 7-(2-fluoro-4-methylphenoxy)-2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridine?
The canonical SMILES for 7-(2-fluoro-4-methylphenoxy)-2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridine is Cc1ccc(Oc2ccnc3cc(-c4nccn4C)sc23)c(F)c1.
What is the InChIKey of 7-(2-fluoro-4-methylphenoxy)-2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridine?
The InChIKey is HIILBYJXZNXNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3OS/c1-11-3-4-14(12(19)9-11)23-15-5-6-20-13-10-16(24-17(13)15)18-21-7-8-22(18)2/h3-10H,1-2H3.
What are the key properties of 7-(2-fluoro-4-methylphenoxy)-2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridine?
7-(2-fluoro-4-methylphenoxy)-2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridine has a molecular weight of 339.40 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-fluoro-4-methylphenoxy)-2-(1-methylimidazol-2-yl)thieno[3,2-b]pyridine is sourced from PubChem (CID 126590233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).