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

C23H18N4O2S — CID 169164466

IUPAC1-[(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-(1,3-benzothiazol-2-yl)ethanone
SMILESO=C(Cc1nc2ccccc2s1)N1CCc2[nH]cnc2[C@H]1c1cc2ccccc2o1
InChIInChI=1S/C23H18N4O2S/c28-21(12-20-26-15-6-2-4-8-19(15)30-20)27-10-9-16-22(25-13-24-16)23(27)18-11-14-5-1-3-7-17(14)29-18/h1-8,11,13,23H,9-10,12H2,(H,24,25)/t23-/m1/s1
InChIKeyJTGHNKORVNAJLJ-HSZRJFAPSA-N
MW414.49 g/mol
LogP4.48
Rot. Bonds3

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

1-[(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-(1,3-benzothiazol-2-yl)ethanone (PubChem CID 169164466) has the molecular formula C23H18N4O2S and a molecular weight of 414.49 g/mol. Its IUPAC name is 1-[(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-(1,3-benzothiazol-2-yl)ethanone.

Molecular Properties

Compound Name1-[(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-(1,3-benzothiazol-2-yl)ethanone
PubChem CID169164466
Molecular FormulaC23H18N4O2S
Molecular Weight414.49 g/mol
Exact Mass414.12
IUPAC Name1-[(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-(1,3-benzothiazol-2-yl)ethanone
SMILESO=C(Cc1nc2ccccc2s1)N1CCc2[nH]cnc2[C@H]1c1cc2ccccc2o1
InChIInChI=1S/C23H18N4O2S/c28-21(12-20-26-15-6-2-4-8-19(15)30-20)27-10-9-16-22(25-13-24-16)23(27)18-11-14-5-1-3-7-17(14)29-18/h1-8,11,13,23H,9-10,12H2,(H,24,25)/t23-/m1/s1
InChIKeyJTGHNKORVNAJLJ-HSZRJFAPSA-N
XLogP4.48
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-(1,3-benzothiazol-2-yl)ethanone?
The IUPAC name of 1-[(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-(1,3-benzothiazol-2-yl)ethanone (CID 169164466) is 1-[(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-(1,3-benzothiazol-2-yl)ethanone.
What is the SMILES notation for 1-[(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-(1,3-benzothiazol-2-yl)ethanone?
The canonical SMILES for 1-[(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-(1,3-benzothiazol-2-yl)ethanone is O=C(Cc1nc2ccccc2s1)N1CCc2[nH]cnc2[C@H]1c1cc2ccccc2o1.
What is the InChIKey of 1-[(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-(1,3-benzothiazol-2-yl)ethanone?
The InChIKey is JTGHNKORVNAJLJ-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H18N4O2S/c28-21(12-20-26-15-6-2-4-8-19(15)30-20)27-10-9-16-22(25-13-24-16)23(27)18-11-14-5-1-3-7-17(14)29-18/h1-8,11,13,23H,9-10,12H2,(H,24,25)/t23-/m1/s1.
What are the key properties of 1-[(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-(1,3-benzothiazol-2-yl)ethanone?
1-[(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-(1,3-benzothiazol-2-yl)ethanone has a molecular weight of 414.49 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-(1,3-benzothiazol-2-yl)ethanone is sourced from PubChem (CID 169164466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).