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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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).