6-[3-(4-fluorophenyl)-2-oxopropoxy]-N-(3-morpholin-4-ylpropyl)-1,3-benzothiazole-2-carboxamide

C24H26FN3O4S — CID 141486522

IUPAC6-[3-(4-fluorophenyl)-2-oxopropoxy]-N-(3-morpholin-4-ylpropyl)-1,3-benzothiazole-2-carboxamide
SMILESO=C(COc1ccc2nc(C(=O)NCCCN3CCOCC3)sc2c1)Cc1ccc(F)cc1
InChIInChI=1S/C24H26FN3O4S/c25-18-4-2-17(3-5-18)14-19(29)16-32-20-6-7-21-22(15-20)33-24(27-21)23(30)26-8-1-9-28-10-12-31-13-11-28/h2-7,15H,1,8-14,16H2,(H,26,30)
InChIKeyLHKQPPADFREPTG-UHFFFAOYSA-N
MW471.55 g/mol
LogP3.08
Rot. Bonds10

About 6-[3-(4-fluorophenyl)-2-oxopropoxy]-N-(3-morpholin-4-ylpropyl)-1,3-benzothiazole-2-carboxamide

6-[3-(4-fluorophenyl)-2-oxopropoxy]-N-(3-morpholin-4-ylpropyl)-1,3-benzothiazole-2-carboxamide (PubChem CID 141486522) has the molecular formula C24H26FN3O4S and a molecular weight of 471.55 g/mol. Its IUPAC name is 6-[3-(4-fluorophenyl)-2-oxopropoxy]-N-(3-morpholin-4-ylpropyl)-1,3-benzothiazole-2-carboxamide.

Molecular Properties

Compound Name6-[3-(4-fluorophenyl)-2-oxopropoxy]-N-(3-morpholin-4-ylpropyl)-1,3-benzothiazole-2-carboxamide
PubChem CID141486522
Molecular FormulaC24H26FN3O4S
Molecular Weight471.55 g/mol
Exact Mass471.16
IUPAC Name6-[3-(4-fluorophenyl)-2-oxopropoxy]-N-(3-morpholin-4-ylpropyl)-1,3-benzothiazole-2-carboxamide
SMILESO=C(COc1ccc2nc(C(=O)NCCCN3CCOCC3)sc2c1)Cc1ccc(F)cc1
InChIInChI=1S/C24H26FN3O4S/c25-18-4-2-17(3-5-18)14-19(29)16-32-20-6-7-21-22(15-20)33-24(27-21)23(30)26-8-1-9-28-10-12-31-13-11-28/h2-7,15H,1,8-14,16H2,(H,26,30)
InChIKeyLHKQPPADFREPTG-UHFFFAOYSA-N
XLogP3.08
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.55
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[4-[3-(4-fluorophenyl)-2-oxopropyl]phenoxy]-N-(3-morpholin-4-ylpropyl)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 58272792
2-(4-fluorophenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 29070481
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-fluorophenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 43997307
2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 16878776
6-fluoro-N-(3-morpholin-4-ylpropyl)-2-phenylquinoline-4-carboxamide
CID 42750139
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)acetamide;hydrochloride
CID 18583330
2-(4-fluorophenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 7622597
N-(6-bromo-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)acetamide;hydrochloride
CID 44935936
2-(4-ethoxyphenyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 30715450
2-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-1,3-benzothiazole-6-carboxamide
CID 20889662
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 29138110
2-(4-methoxyphenyl)-6-methyl-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 42749976

Frequently Asked Questions

What is the IUPAC name of 6-[3-(4-fluorophenyl)-2-oxopropoxy]-N-(3-morpholin-4-ylpropyl)-1,3-benzothiazole-2-carboxamide?
The IUPAC name of 6-[3-(4-fluorophenyl)-2-oxopropoxy]-N-(3-morpholin-4-ylpropyl)-1,3-benzothiazole-2-carboxamide (CID 141486522) is 6-[3-(4-fluorophenyl)-2-oxopropoxy]-N-(3-morpholin-4-ylpropyl)-1,3-benzothiazole-2-carboxamide.
What is the SMILES notation for 6-[3-(4-fluorophenyl)-2-oxopropoxy]-N-(3-morpholin-4-ylpropyl)-1,3-benzothiazole-2-carboxamide?
The canonical SMILES for 6-[3-(4-fluorophenyl)-2-oxopropoxy]-N-(3-morpholin-4-ylpropyl)-1,3-benzothiazole-2-carboxamide is O=C(COc1ccc2nc(C(=O)NCCCN3CCOCC3)sc2c1)Cc1ccc(F)cc1.
What is the InChIKey of 6-[3-(4-fluorophenyl)-2-oxopropoxy]-N-(3-morpholin-4-ylpropyl)-1,3-benzothiazole-2-carboxamide?
The InChIKey is LHKQPPADFREPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O4S/c25-18-4-2-17(3-5-18)14-19(29)16-32-20-6-7-21-22(15-20)33-24(27-21)23(30)26-8-1-9-28-10-12-31-13-11-28/h2-7,15H,1,8-14,16H2,(H,26,30).
What are the key properties of 6-[3-(4-fluorophenyl)-2-oxopropoxy]-N-(3-morpholin-4-ylpropyl)-1,3-benzothiazole-2-carboxamide?
6-[3-(4-fluorophenyl)-2-oxopropoxy]-N-(3-morpholin-4-ylpropyl)-1,3-benzothiazole-2-carboxamide has a molecular weight of 471.55 g/mol, XLogP of 3.08, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(4-fluorophenyl)-2-oxopropoxy]-N-(3-morpholin-4-ylpropyl)-1,3-benzothiazole-2-carboxamide is sourced from PubChem (CID 141486522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).