6-[2-(4-fluorophenyl)-5-methylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1,3-benzothiazole

C20H15FN4S — CID 175719364

IUPAC6-[2-(4-fluorophenyl)-5-methylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1,3-benzothiazole
SMILESCc1ccc2nc(-c3ccc(F)cc3)n(-c3ccc4c(c3)SCN4)c2n1
InChIInChI=1S/C20H15FN4S/c1-12-2-8-17-20(23-12)25(15-7-9-16-18(10-15)26-11-22-16)19(24-17)13-3-5-14(21)6-4-13/h2-10,22H,11H2,1H3
InChIKeyADTGFVZXJIEMCH-UHFFFAOYSA-N
MW362.43 g/mol
LogP5.01
Rot. Bonds2

About 6-[2-(4-fluorophenyl)-5-methylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1,3-benzothiazole

6-[2-(4-fluorophenyl)-5-methylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1,3-benzothiazole (PubChem CID 175719364) has the molecular formula C20H15FN4S and a molecular weight of 362.43 g/mol. Its IUPAC name is 6-[2-(4-fluorophenyl)-5-methylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1,3-benzothiazole.

Molecular Properties

Compound Name6-[2-(4-fluorophenyl)-5-methylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1,3-benzothiazole
PubChem CID175719364
Molecular FormulaC20H15FN4S
Molecular Weight362.43 g/mol
Exact Mass362.10
IUPAC Name6-[2-(4-fluorophenyl)-5-methylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1,3-benzothiazole
SMILESCc1ccc2nc(-c3ccc(F)cc3)n(-c3ccc4c(c3)SCN4)c2n1
InChIInChI=1S/C20H15FN4S/c1-12-2-8-17-20(23-12)25(15-7-9-16-18(10-15)26-11-22-16)19(24-17)13-3-5-14(21)6-4-13/h2-10,22H,11H2,1H3
InChIKeyADTGFVZXJIEMCH-UHFFFAOYSA-N
XLogP5.01
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.43
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[2-(4-fluorophenyl)-5-methylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1,3-benzothiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-fluorophenyl)-5-methylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1,3-benzothiazole?
The IUPAC name of 6-[2-(4-fluorophenyl)-5-methylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1,3-benzothiazole (CID 175719364) is 6-[2-(4-fluorophenyl)-5-methylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1,3-benzothiazole.
What is the SMILES notation for 6-[2-(4-fluorophenyl)-5-methylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1,3-benzothiazole?
The canonical SMILES for 6-[2-(4-fluorophenyl)-5-methylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1,3-benzothiazole is Cc1ccc2nc(-c3ccc(F)cc3)n(-c3ccc4c(c3)SCN4)c2n1.
What is the InChIKey of 6-[2-(4-fluorophenyl)-5-methylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1,3-benzothiazole?
The InChIKey is ADTGFVZXJIEMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4S/c1-12-2-8-17-20(23-12)25(15-7-9-16-18(10-15)26-11-22-16)19(24-17)13-3-5-14(21)6-4-13/h2-10,22H,11H2,1H3.
What are the key properties of 6-[2-(4-fluorophenyl)-5-methylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1,3-benzothiazole?
6-[2-(4-fluorophenyl)-5-methylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1,3-benzothiazole has a molecular weight of 362.43 g/mol, XLogP of 5.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-fluorophenyl)-5-methylimidazo[4,5-b]pyridin-3-yl]-2,3-dihydro-1,3-benzothiazole is sourced from PubChem (CID 175719364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).