2-(1,3-benzothiazol-2-yl)-1-[4-(7-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone

C23H17FN4O2S — CID 169163702

IUPAC2-(1,3-benzothiazol-2-yl)-1-[4-(7-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone
SMILESO=C(Cc1nc2ccccc2s1)N1CCc2[nH]cnc2C1c1cc2cccc(F)c2o1
InChIInChI=1S/C23H17FN4O2S/c24-14-5-3-4-13-10-17(30-23(13)14)22-21-16(25-12-26-21)8-9-28(22)20(29)11-19-27-15-6-1-2-7-18(15)31-19/h1-7,10,12,22H,8-9,11H2,(H,25,26)
InChIKeyJJLFNRUDVHQMJM-UHFFFAOYSA-N
MW432.48 g/mol
LogP4.62
Rot. Bonds3

About 2-(1,3-benzothiazol-2-yl)-1-[4-(7-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone

2-(1,3-benzothiazol-2-yl)-1-[4-(7-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone (PubChem CID 169163702) has the molecular formula C23H17FN4O2S and a molecular weight of 432.48 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-yl)-1-[4-(7-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-yl)-1-[4-(7-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone
PubChem CID169163702
Molecular FormulaC23H17FN4O2S
Molecular Weight432.48 g/mol
Exact Mass432.11
IUPAC Name2-(1,3-benzothiazol-2-yl)-1-[4-(7-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone
SMILESO=C(Cc1nc2ccccc2s1)N1CCc2[nH]cnc2C1c1cc2cccc(F)c2o1
InChIInChI=1S/C23H17FN4O2S/c24-14-5-3-4-13-10-17(30-23(13)14)22-21-16(25-12-26-21)8-9-28(22)20(29)11-19-27-15-6-1-2-7-18(15)31-19/h1-7,10,12,22H,8-9,11H2,(H,25,26)
InChIKeyJJLFNRUDVHQMJM-UHFFFAOYSA-N
XLogP4.62
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(1,3-benzothiazol-2-yl)-1-[4-(7-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone with MolForge

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Related Compounds

2-(1-((1H-Imidazo[4,5-b]pyridin-2-yl)methyl)piperidin-4-yl)-4-(benzofuran-2-yl)thiazole
CID 162675169
2-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-4-(6-fluoro-1-benzofuran-2-yl)-1,3-thiazole
CID 166626453
2-[1-[1-(1H-benzimidazol-2-yl)ethyl]piperidin-4-yl]-4-(1-benzofuran-2-yl)-1,3-thiazole
CID 166627880
4-(1-benzofuran-2-yl)-2-[1-[(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]piperidin-4-yl]-1,3-thiazole
CID 166628685
4-(1-benzofuran-2-yl)-2-[1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]-1,3-thiazole
CID 166630690
4-(1-benzofuran-2-yl)-2-[1-[(5-phenyl-1H-imidazol-2-yl)methyl]piperidin-4-yl]-1,3-thiazole
CID 166631330
4-(1-benzofuran-2-yl)-2-[1-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)piperidin-4-yl]-1,3-thiazole
CID 166633163
4-(1-benzofuran-2-yl)-2-[1-[(6-fluoro-1H-imidazo[4,5-b]pyridin-2-yl)methyl]piperidin-4-yl]-1,3-thiazole
CID 166633628
4-(1-benzofuran-2-yl)-2-[1-[(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methyl]piperidin-4-yl]-1,3-thiazole
CID 166634094
4-(1-benzofuran-2-yl)-2-[1-(7H-purin-8-ylmethyl)piperidin-4-yl]-1,3-thiazole
CID 166635269
2-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-4-(1-benzofuran-2-yl)-1,3-thiazole
CID 166635508
2-[1-[2-(1H-benzimidazol-2-yl)propan-2-yl]piperidin-4-yl]-4-(1-benzofuran-2-yl)-1,3-thiazole
CID 166625243

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-yl)-1-[4-(7-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone?
The IUPAC name of 2-(1,3-benzothiazol-2-yl)-1-[4-(7-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone (CID 169163702) is 2-(1,3-benzothiazol-2-yl)-1-[4-(7-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 2-(1,3-benzothiazol-2-yl)-1-[4-(7-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone?
The canonical SMILES for 2-(1,3-benzothiazol-2-yl)-1-[4-(7-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone is O=C(Cc1nc2ccccc2s1)N1CCc2[nH]cnc2C1c1cc2cccc(F)c2o1.
What is the InChIKey of 2-(1,3-benzothiazol-2-yl)-1-[4-(7-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone?
The InChIKey is JJLFNRUDVHQMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN4O2S/c24-14-5-3-4-13-10-17(30-23(13)14)22-21-16(25-12-26-21)8-9-28(22)20(29)11-19-27-15-6-1-2-7-18(15)31-19/h1-7,10,12,22H,8-9,11H2,(H,25,26).
What are the key properties of 2-(1,3-benzothiazol-2-yl)-1-[4-(7-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone?
2-(1,3-benzothiazol-2-yl)-1-[4-(7-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone has a molecular weight of 432.48 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-yl)-1-[4-(7-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 169163702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).