2-(2,5-dioxopyrrolidin-1-yl)-N-(2-fluorophenyl)-1,3-benzothiazole-6-carboxamide

C18H12FN3O3S — CID 1331519

IUPAC2-(2,5-dioxopyrrolidin-1-yl)-N-(2-fluorophenyl)-1,3-benzothiazole-6-carboxamide
SMILESO=C(Nc1ccccc1F)c1ccc2nc(N3C(=O)CCC3=O)sc2c1
InChIInChI=1S/C18H12FN3O3S/c19-11-3-1-2-4-12(11)20-17(25)10-5-6-13-14(9-10)26-18(21-13)22-15(23)7-8-16(22)24/h1-6,9H,7-8H2,(H,20,25)
InChIKeyMRIDWSGPHSDZEP-UHFFFAOYSA-N
MW369.38 g/mol
LogP3.34
Rot. Bonds3

About 2-(2,5-dioxopyrrolidin-1-yl)-N-(2-fluorophenyl)-1,3-benzothiazole-6-carboxamide

2-(2,5-dioxopyrrolidin-1-yl)-N-(2-fluorophenyl)-1,3-benzothiazole-6-carboxamide (PubChem CID 1331519) has the molecular formula C18H12FN3O3S and a molecular weight of 369.38 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrolidin-1-yl)-N-(2-fluorophenyl)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-(2,5-dioxopyrrolidin-1-yl)-N-(2-fluorophenyl)-1,3-benzothiazole-6-carboxamide
PubChem CID1331519
Molecular FormulaC18H12FN3O3S
Molecular Weight369.38 g/mol
Exact Mass369.06
IUPAC Name2-(2,5-dioxopyrrolidin-1-yl)-N-(2-fluorophenyl)-1,3-benzothiazole-6-carboxamide
SMILESO=C(Nc1ccccc1F)c1ccc2nc(N3C(=O)CCC3=O)sc2c1
InChIInChI=1S/C18H12FN3O3S/c19-11-3-1-2-4-12(11)20-17(25)10-5-6-13-14(9-10)26-18(21-13)22-15(23)7-8-16(22)24/h1-6,9H,7-8H2,(H,20,25)
InChIKeyMRIDWSGPHSDZEP-UHFFFAOYSA-N
XLogP3.34
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chlorophenyl)-2-(2,5-dioxopyrrolidin-1-yl)-1,3-benzothiazole-6-carboxamide
CID 27012493
2-(2,5-dioxopyrrolidin-1-yl)-N-(4-morpholin-4-ylphenyl)-1,3-benzothiazole-6-carboxamide
CID 1278511
1-(4-acetylphenyl)-3-[2-(2,5-dioxopyrrolidin-1-yl)-1,3-benzothiazol-6-yl]urea
CID 126146066
1-[2-(2,5-dioxopyrrolidin-1-yl)-1,3-benzothiazol-6-yl]-3-(2-methoxyphenyl)urea
CID 126143751
N-(2-fluorophenyl)naphthalene-2-carboxamide
CID 883701
N-(2-fluorophenyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 798045
1-[6-(2-methyl-2,3-dihydroindole-1-carbonyl)-1,3-benzothiazol-2-yl]pyrrolidine-2,5-dione
CID 2925776
methyl 2-[(2-morpholin-4-yl-1,3-benzothiazole-6-carbonyl)amino]benzoate
CID 46261528
1-cyclopropyl-3-[2-(2,5-dioxopyrrolidin-1-yl)-1,3-benzothiazol-6-yl]urea
CID 126140188
N-[2-(2,5-dioxopyrrolidin-1-yl)-1,3-benzothiazol-6-yl]azepane-1-carboxamide
CID 126152037
2-(2,5-dioxopyrrolidin-1-yl)-N-(4-methoxyphenyl)-N-methyl-1,3-benzothiazole-6-carboxamide
CID 40612857
N-(2-fluorophenyl)-9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazoline-6-carboxamide
CID 8780410

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-N-(2-fluorophenyl)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)-N-(2-fluorophenyl)-1,3-benzothiazole-6-carboxamide (CID 1331519) is 2-(2,5-dioxopyrrolidin-1-yl)-N-(2-fluorophenyl)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for 2-(2,5-dioxopyrrolidin-1-yl)-N-(2-fluorophenyl)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for 2-(2,5-dioxopyrrolidin-1-yl)-N-(2-fluorophenyl)-1,3-benzothiazole-6-carboxamide is O=C(Nc1ccccc1F)c1ccc2nc(N3C(=O)CCC3=O)sc2c1.
What is the InChIKey of 2-(2,5-dioxopyrrolidin-1-yl)-N-(2-fluorophenyl)-1,3-benzothiazole-6-carboxamide?
The InChIKey is MRIDWSGPHSDZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3O3S/c19-11-3-1-2-4-12(11)20-17(25)10-5-6-13-14(9-10)26-18(21-13)22-15(23)7-8-16(22)24/h1-6,9H,7-8H2,(H,20,25).
What are the key properties of 2-(2,5-dioxopyrrolidin-1-yl)-N-(2-fluorophenyl)-1,3-benzothiazole-6-carboxamide?
2-(2,5-dioxopyrrolidin-1-yl)-N-(2-fluorophenyl)-1,3-benzothiazole-6-carboxamide has a molecular weight of 369.38 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrolidin-1-yl)-N-(2-fluorophenyl)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 1331519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).