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

C23H17FN4O2S — CID 169164654

IUPAC2-(1,3-benzothiazol-2-yl)-1-[(4R)-4-(4-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone
SMILESO=C(Cc1nc2ccccc2s1)N1CCc2[nH]cnc2[C@@H]1c1cc2c(F)cccc2o1
InChIInChI=1S/C23H17FN4O2S/c24-14-4-3-6-17-13(14)10-18(30-17)23-22-16(25-12-26-22)8-9-28(23)21(29)11-20-27-15-5-1-2-7-19(15)31-20/h1-7,10,12,23H,8-9,11H2,(H,25,26)/t23-/m0/s1
InChIKeyRVCSPLLWFNHCED-QHCPKHFHSA-N
MW432.48 g/mol
LogP4.62
Rot. Bonds3

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

2-(1,3-benzothiazol-2-yl)-1-[(4R)-4-(4-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone (PubChem CID 169164654) 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-[(4R)-4-(4-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-[(4R)-4-(4-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone
PubChem CID169164654
Molecular FormulaC23H17FN4O2S
Molecular Weight432.48 g/mol
Exact Mass432.11
IUPAC Name2-(1,3-benzothiazol-2-yl)-1-[(4R)-4-(4-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone
SMILESO=C(Cc1nc2ccccc2s1)N1CCc2[nH]cnc2[C@@H]1c1cc2c(F)cccc2o1
InChIInChI=1S/C23H17FN4O2S/c24-14-4-3-6-17-13(14)10-18(30-17)23-22-16(25-12-26-22)8-9-28(23)21(29)11-20-27-15-5-1-2-7-19(15)31-20/h1-7,10,12,23H,8-9,11H2,(H,25,26)/t23-/m0/s1
InChIKeyRVCSPLLWFNHCED-QHCPKHFHSA-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-[(4R)-4-(4-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-yl)-1-[(4R)-4-(4-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-[(4R)-4-(4-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone (CID 169164654) is 2-(1,3-benzothiazol-2-yl)-1-[(4R)-4-(4-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-[(4R)-4-(4-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-[(4R)-4-(4-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone is O=C(Cc1nc2ccccc2s1)N1CCc2[nH]cnc2[C@@H]1c1cc2c(F)cccc2o1.
What is the InChIKey of 2-(1,3-benzothiazol-2-yl)-1-[(4R)-4-(4-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone?
The InChIKey is RVCSPLLWFNHCED-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H17FN4O2S/c24-14-4-3-6-17-13(14)10-18(30-17)23-22-16(25-12-26-22)8-9-28(23)21(29)11-20-27-15-5-1-2-7-19(15)31-20/h1-7,10,12,23H,8-9,11H2,(H,25,26)/t23-/m0/s1.
What are the key properties of 2-(1,3-benzothiazol-2-yl)-1-[(4R)-4-(4-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone?
2-(1,3-benzothiazol-2-yl)-1-[(4R)-4-(4-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-[(4R)-4-(4-fluoro-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 169164654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).