N-(1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

C18H14FN3O2S — CID 3155574

IUPACN-(1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1nc2ccccc2s1)C1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C18H14FN3O2S/c19-12-5-7-13(8-6-12)22-10-11(9-16(22)23)17(24)21-18-20-14-3-1-2-4-15(14)25-18/h1-8,11H,9-10H2,(H,20,21,24)
InChIKeyMEDJXWJEBKZNBC-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.43
Rot. Bonds3

About N-(1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide

N-(1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 3155574) has the molecular formula C18H14FN3O2S and a molecular weight of 355.39 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID3155574
Molecular FormulaC18H14FN3O2S
Molecular Weight355.39 g/mol
Exact Mass355.08
IUPAC NameN-(1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1nc2ccccc2s1)C1CC(=O)N(c2ccc(F)cc2)C1
InChIInChI=1S/C18H14FN3O2S/c19-12-5-7-13(8-6-12)22-10-11(9-16(22)23)17(24)21-18-20-14-3-1-2-4-15(14)25-18/h1-8,11H,9-10H2,(H,20,21,24)
InChIKeyMEDJXWJEBKZNBC-UHFFFAOYSA-N
XLogP3.43
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[2-({3-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-3-oxopropyl}amino)acetyl]pyrrolidine-2-carbonitrile
CID 11704578
1-(1,3-Benzothiazol-2-yl)-3-(2,4-difluorophenyl)urea
CID 929625
3-[4-(1,3-Benzothiazol-2-yl)piperazin-1-yl]-1-(4-fluorophenyl)pyrrolidine-2,5-dione
CID 2936391
N-(1,3-benzothiazol-2-yl)-2-[(5-ethyl-4,6-dioxo-1,4,5,6-tetrahydropyrimidin-2-yl)sulfanyl]acetamide
CID 3997242
1-[4-(6-Fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]pentan-1-one
CID 7539142
N-[3-(1,3-benzothiazol-2-ylamino)-3-oxopropyl]benzamide
CID 16310978
1-Benzothiazol-2-yl-piperidine-4-carboxylic acid cyclopropylamide
CID 24792280
N-(1,3-benzothiazol-2-yl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 2789377
3-[2-(1,3-Benzothiazol-2-yl)hydrazinyl]-1-phenylpyrrolidine-2,5-dione
CID 2966956
3-[2-(1,3-Benzothiazol-2-yl)hydrazinyl]-1-(4-fluorophenyl)pyrrolidine-2,5-dione
CID 3847596
N-(benzo[d]thiazol-2-yl)-2-((3-ethyl-6-methyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)acetamide
CID 3238257
N-(1,3-Benzothiazol-2-YL)-1-[(3-methylphenyl)methyl]-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 7598405

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide (CID 3155574) is N-(1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide is O=C(Nc1nc2ccccc2s1)C1CC(=O)N(c2ccc(F)cc2)C1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is MEDJXWJEBKZNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O2S/c19-12-5-7-13(8-6-12)22-10-11(9-16(22)23)17(24)21-18-20-14-3-1-2-4-15(14)25-18/h1-8,11H,9-10H2,(H,20,21,24).
What are the key properties of N-(1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide?
N-(1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 355.39 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 3155574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).