N-(2,3-dihydropyrrolizin-1-ylideneamino)-5-(4-fluorophenyl)thiophene-2-carboxamide

C18H14FN3OS — CID 71899679

IUPACN-(2,3-dihydropyrrolizin-1-ylideneamino)-5-(4-fluorophenyl)thiophene-2-carboxamide
SMILESO=C(NN=C1CCn2cccc21)c1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C18H14FN3OS/c19-13-5-3-12(4-6-13)16-7-8-17(24-16)18(23)21-20-14-9-11-22-10-1-2-15(14)22/h1-8,10H,9,11H2,(H,21,23)
InChIKeyZFWHIIKUFYGDFJ-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.89
Rot. Bonds3

About N-(2,3-dihydropyrrolizin-1-ylideneamino)-5-(4-fluorophenyl)thiophene-2-carboxamide

N-(2,3-dihydropyrrolizin-1-ylideneamino)-5-(4-fluorophenyl)thiophene-2-carboxamide (PubChem CID 71899679) has the molecular formula C18H14FN3OS and a molecular weight of 339.40 g/mol. Its IUPAC name is N-(2,3-dihydropyrrolizin-1-ylideneamino)-5-(4-fluorophenyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydropyrrolizin-1-ylideneamino)-5-(4-fluorophenyl)thiophene-2-carboxamide
PubChem CID71899679
Molecular FormulaC18H14FN3OS
Molecular Weight339.40 g/mol
Exact Mass339.08
IUPAC NameN-(2,3-dihydropyrrolizin-1-ylideneamino)-5-(4-fluorophenyl)thiophene-2-carboxamide
SMILESO=C(NN=C1CCn2cccc21)c1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C18H14FN3OS/c19-13-5-3-12(4-6-13)16-7-8-17(24-16)18(23)21-20-14-9-11-22-10-1-2-15(14)22/h1-8,10H,9,11H2,(H,21,23)
InChIKeyZFWHIIKUFYGDFJ-UHFFFAOYSA-N
XLogP3.89
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_pyrrol(64)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2,3-dihydropyrrolizin-1-ylideneamino)-5-(4-fluorophenyl)thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-N-[(E)-(5-pyridin-2-ylsulfanylthiophen-2-yl)methylideneamino]benzamide
CID 57521164
3-(1H-Pyrrol-1-yl)-2-thiophenecarboxylic acid 2-(4-fluorobenzoyl)hydrazide
CID 3811376
4-(1H-pyrrol-1-yl)-N'-(2-thienylmethylene)benzohydrazide
CID 6875099
N'-{[2,5-dimethyl-1-(3-methylphenyl)-1H-pyrrol-3-yl]methylene}-2-thiophenecarbohydrazide
CID 5347417
N-[(E)-(3-methylthiophen-2-yl)methylideneamino]-4-pyrrol-1-ylbenzamide
CID 6875100
N'-[(1-methyl-1H-pyrrol-2-yl)methylene]-5-propyl-3-thiophenecarbohydrazide
CID 9563604
(Z)-4-fluoro-N-(5-((1-methyl-1H-pyrrol-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)benzamide
CID 2040360
N'-benzoyl-3-(1H-pyrrol-1-yl)-2-thiophenecarbohydrazide
CID 3811213
N'-[(Z)-phenylmethylidene]-3-(1H-pyrrol-1-yl)-2-thiophenecarbohydrazide
CID 5524513
N'-[(Z)-(3-methylphenyl)methylidene]-3-(1H-pyrrol-1-yl)-2-thiophenecarbohydrazide
CID 5524529
N'-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylene]-2-thiophenecarbohydrazide
CID 9564737
5-methyl-N-[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 135558451

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydropyrrolizin-1-ylideneamino)-5-(4-fluorophenyl)thiophene-2-carboxamide?
The IUPAC name of N-(2,3-dihydropyrrolizin-1-ylideneamino)-5-(4-fluorophenyl)thiophene-2-carboxamide (CID 71899679) is N-(2,3-dihydropyrrolizin-1-ylideneamino)-5-(4-fluorophenyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2,3-dihydropyrrolizin-1-ylideneamino)-5-(4-fluorophenyl)thiophene-2-carboxamide?
The canonical SMILES for N-(2,3-dihydropyrrolizin-1-ylideneamino)-5-(4-fluorophenyl)thiophene-2-carboxamide is O=C(NN=C1CCn2cccc21)c1ccc(-c2ccc(F)cc2)s1.
What is the InChIKey of N-(2,3-dihydropyrrolizin-1-ylideneamino)-5-(4-fluorophenyl)thiophene-2-carboxamide?
The InChIKey is ZFWHIIKUFYGDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3OS/c19-13-5-3-12(4-6-13)16-7-8-17(24-16)18(23)21-20-14-9-11-22-10-1-2-15(14)22/h1-8,10H,9,11H2,(H,21,23).
What are the key properties of N-(2,3-dihydropyrrolizin-1-ylideneamino)-5-(4-fluorophenyl)thiophene-2-carboxamide?
N-(2,3-dihydropyrrolizin-1-ylideneamino)-5-(4-fluorophenyl)thiophene-2-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydropyrrolizin-1-ylideneamino)-5-(4-fluorophenyl)thiophene-2-carboxamide is sourced from PubChem (CID 71899679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).