1-[2-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-2-(2-methylbenzimidazol-1-yl)ethanone

C22H19FN4OS — CID 92628876

IUPAC1-[2-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-2-(2-methylbenzimidazol-1-yl)ethanone
SMILESCc1nc2ccccc2n1CC(=O)N1CCc2nc(-c3cccc(F)c3)sc2C1
InChIInChI=1S/C22H19FN4OS/c1-14-24-17-7-2-3-8-19(17)27(14)13-21(28)26-10-9-18-20(12-26)29-22(25-18)15-5-4-6-16(23)11-15/h2-8,11H,9-10,12-13H2,1H3
InChIKeyPQHKUUKPXBNATH-UHFFFAOYSA-N
MW406.49 g/mol
LogP4.19
Rot. Bonds3

About 1-[2-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-2-(2-methylbenzimidazol-1-yl)ethanone

1-[2-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-2-(2-methylbenzimidazol-1-yl)ethanone (PubChem CID 92628876) has the molecular formula C22H19FN4OS and a molecular weight of 406.49 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-2-(2-methylbenzimidazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-2-(2-methylbenzimidazol-1-yl)ethanone
PubChem CID92628876
Molecular FormulaC22H19FN4OS
Molecular Weight406.49 g/mol
Exact Mass406.13
IUPAC Name1-[2-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-2-(2-methylbenzimidazol-1-yl)ethanone
SMILESCc1nc2ccccc2n1CC(=O)N1CCc2nc(-c3cccc(F)c3)sc2C1
InChIInChI=1S/C22H19FN4OS/c1-14-24-17-7-2-3-8-19(17)27(14)13-21(28)26-10-9-18-20(12-26)29-22(25-18)15-5-4-6-16(23)11-15/h2-8,11H,9-10,12-13H2,1H3
InChIKeyPQHKUUKPXBNATH-UHFFFAOYSA-N
XLogP4.19
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[2-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-2-(2-methylbenzimidazol-1-yl)ethanone with MolForge

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Related Compounds

2-[8-(5-fluoropyrimidin-2-yl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-1-(2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone
CID 53246111
1-(2-tert-butyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)-2-(2-methylbenzimidazol-1-yl)ethanone
CID 170505373
(3-fluorophenyl)-[2-(4-methoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]methanone
CID 50770226
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-[2-(2-methylbenzimidazol-1-yl)ethyl]acetamide
CID 38715432
N-[(Z)-(3-fluorophenyl)methylideneamino]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 9121419
N-(2-chloro-4-methylphenyl)-2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 53033159
2-(2-methylbenzimidazol-1-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 51287699
2-(3-fluorophenyl)-1-(2-methylprop-2-enyl)benzimidazole
CID 143449401
1-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-phenylethanone
CID 59128876
1-[4-(2-hydroxypropyl)piperazin-1-yl]-2-(2-methylbenzimidazol-1-yl)ethanone
CID 154740262
2-[(2R,6S)-2,6-dimethyl-4-pyrimidin-5-ylpiperazin-1-yl]-1-(2-phenyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)ethanone
CID 53246582
2-(3-methoxyphenyl)-N-(4-methylphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxamide
CID 53033117

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-2-(2-methylbenzimidazol-1-yl)ethanone?
The IUPAC name of 1-[2-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-2-(2-methylbenzimidazol-1-yl)ethanone (CID 92628876) is 1-[2-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-2-(2-methylbenzimidazol-1-yl)ethanone.
What is the SMILES notation for 1-[2-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-2-(2-methylbenzimidazol-1-yl)ethanone?
The canonical SMILES for 1-[2-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-2-(2-methylbenzimidazol-1-yl)ethanone is Cc1nc2ccccc2n1CC(=O)N1CCc2nc(-c3cccc(F)c3)sc2C1.
What is the InChIKey of 1-[2-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-2-(2-methylbenzimidazol-1-yl)ethanone?
The InChIKey is PQHKUUKPXBNATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4OS/c1-14-24-17-7-2-3-8-19(17)27(14)13-21(28)26-10-9-18-20(12-26)29-22(25-18)15-5-4-6-16(23)11-15/h2-8,11H,9-10,12-13H2,1H3.
What are the key properties of 1-[2-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-2-(2-methylbenzimidazol-1-yl)ethanone?
1-[2-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-2-(2-methylbenzimidazol-1-yl)ethanone has a molecular weight of 406.49 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-2-(2-methylbenzimidazol-1-yl)ethanone is sourced from PubChem (CID 92628876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).