5-ethyl-2-[2-[2-(2-fluorophenyl)imidazo[4,5-c]pyridin-5-yl]ethyl]-1,3-benzothiazole

C23H19FN4S — CID 175828261

IUPAC5-ethyl-2-[2-[2-(2-fluorophenyl)imidazo[4,5-c]pyridin-5-yl]ethyl]-1,3-benzothiazole
SMILESCCc1ccc2sc(CCn3ccc4nc(-c5ccccc5F)nc-4c3)nc2c1
InChIInChI=1S/C23H19FN4S/c1-2-15-7-8-21-19(13-15)25-22(29-21)10-12-28-11-9-18-20(14-28)27-23(26-18)16-5-3-4-6-17(16)24/h3-9,11,13-14H,2,10,12H2,1H3
InChIKeyASJUJKSVRWPLGU-UHFFFAOYSA-N
MW402.50 g/mol
LogP5.60
Rot. Bonds5

About 5-ethyl-2-[2-[2-(2-fluorophenyl)imidazo[4,5-c]pyridin-5-yl]ethyl]-1,3-benzothiazole

5-ethyl-2-[2-[2-(2-fluorophenyl)imidazo[4,5-c]pyridin-5-yl]ethyl]-1,3-benzothiazole (PubChem CID 175828261) has the molecular formula C23H19FN4S and a molecular weight of 402.50 g/mol. Its IUPAC name is 5-ethyl-2-[2-[2-(2-fluorophenyl)imidazo[4,5-c]pyridin-5-yl]ethyl]-1,3-benzothiazole.

Molecular Properties

Compound Name5-ethyl-2-[2-[2-(2-fluorophenyl)imidazo[4,5-c]pyridin-5-yl]ethyl]-1,3-benzothiazole
PubChem CID175828261
Molecular FormulaC23H19FN4S
Molecular Weight402.50 g/mol
Exact Mass402.13
IUPAC Name5-ethyl-2-[2-[2-(2-fluorophenyl)imidazo[4,5-c]pyridin-5-yl]ethyl]-1,3-benzothiazole
SMILESCCc1ccc2sc(CCn3ccc4nc(-c5ccccc5F)nc-4c3)nc2c1
InChIInChI=1S/C23H19FN4S/c1-2-15-7-8-21-19(13-15)25-22(29-21)10-12-28-11-9-18-20(14-28)27-23(26-18)16-5-3-4-6-17(16)24/h3-9,11,13-14H,2,10,12H2,1H3
InChIKeyASJUJKSVRWPLGU-UHFFFAOYSA-N
XLogP5.60
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.50
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[2-[2-(2-fluorophenyl)imidazo[4,5-c]pyridin-5-yl]ethyl]-1,3-benzothiazole?
The IUPAC name of 5-ethyl-2-[2-[2-(2-fluorophenyl)imidazo[4,5-c]pyridin-5-yl]ethyl]-1,3-benzothiazole (CID 175828261) is 5-ethyl-2-[2-[2-(2-fluorophenyl)imidazo[4,5-c]pyridin-5-yl]ethyl]-1,3-benzothiazole.
What is the SMILES notation for 5-ethyl-2-[2-[2-(2-fluorophenyl)imidazo[4,5-c]pyridin-5-yl]ethyl]-1,3-benzothiazole?
The canonical SMILES for 5-ethyl-2-[2-[2-(2-fluorophenyl)imidazo[4,5-c]pyridin-5-yl]ethyl]-1,3-benzothiazole is CCc1ccc2sc(CCn3ccc4nc(-c5ccccc5F)nc-4c3)nc2c1.
What is the InChIKey of 5-ethyl-2-[2-[2-(2-fluorophenyl)imidazo[4,5-c]pyridin-5-yl]ethyl]-1,3-benzothiazole?
The InChIKey is ASJUJKSVRWPLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4S/c1-2-15-7-8-21-19(13-15)25-22(29-21)10-12-28-11-9-18-20(14-28)27-23(26-18)16-5-3-4-6-17(16)24/h3-9,11,13-14H,2,10,12H2,1H3.
What are the key properties of 5-ethyl-2-[2-[2-(2-fluorophenyl)imidazo[4,5-c]pyridin-5-yl]ethyl]-1,3-benzothiazole?
5-ethyl-2-[2-[2-(2-fluorophenyl)imidazo[4,5-c]pyridin-5-yl]ethyl]-1,3-benzothiazole has a molecular weight of 402.50 g/mol, XLogP of 5.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[2-[2-(2-fluorophenyl)imidazo[4,5-c]pyridin-5-yl]ethyl]-1,3-benzothiazole is sourced from PubChem (CID 175828261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).