N-[(4-fluorophenyl)methylideneamino]-4H-thieno[3,2-b]pyrrole-5-carboxamide

C14H10FN3OS — CID 3228403

IUPACN-[(4-fluorophenyl)methylideneamino]-4H-thieno[3,2-b]pyrrole-5-carboxamide
SMILESO=C(NN=Cc1ccc(F)cc1)c1cc2sccc2[nH]1
InChIInChI=1S/C14H10FN3OS/c15-10-3-1-9(2-4-10)8-16-18-14(19)12-7-13-11(17-12)5-6-20-13/h1-8,17H,(H,18,19)
InChIKeyLIGWKZGLBVXNAY-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.13
Rot. Bonds3

About N-[(4-fluorophenyl)methylideneamino]-4H-thieno[3,2-b]pyrrole-5-carboxamide

N-[(4-fluorophenyl)methylideneamino]-4H-thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 3228403) has the molecular formula C14H10FN3OS and a molecular weight of 287.32 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methylideneamino]-4H-thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methylideneamino]-4H-thieno[3,2-b]pyrrole-5-carboxamide
PubChem CID3228403
Molecular FormulaC14H10FN3OS
Molecular Weight287.32 g/mol
Exact Mass287.05
IUPAC NameN-[(4-fluorophenyl)methylideneamino]-4H-thieno[3,2-b]pyrrole-5-carboxamide
SMILESO=C(NN=Cc1ccc(F)cc1)c1cc2sccc2[nH]1
InChIInChI=1S/C14H10FN3OS/c15-10-3-1-9(2-4-10)8-16-18-14(19)12-7-13-11(17-12)5-6-20-13/h1-8,17H,(H,18,19)
InChIKeyLIGWKZGLBVXNAY-UHFFFAOYSA-N
XLogP3.13
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-[(E)-(4-fluorophenyl)methylideneamino]benzamide
CID 5333155
4-fluoro-N-[(Z)-(4-fluorophenyl)methylideneamino]benzamide
CID 5394348
1-[(Z)-(4-fluorophenyl)methylideneamino]-3-[(4-fluorophenyl)methylideneamino]urea
CID 5383880
N-[(4-fluorophenyl)methylideneamino]benzamide
CID 724426
N-[(E)-(4-fluorophenyl)methylideneamino]-3-phenyl-1H-pyrazole-5-carboxamide
CID 6867328
N-[(Z)-(4-fluorophenyl)methylideneamino]-4-methylbenzamide
CID 5405739
4-[[(4-fluorobenzoyl)hydrazinylidene]methyl]benzoate
CID 2403681
N,N'-bis[(Z)-(4-fluorophenyl)methylideneamino]decanediamide
CID 6277081
N-[(Z)-(3,4-difluorophenyl)methylideneamino]-4-fluorobenzamide
CID 9016709
4-tert-butyl-N-[(4-fluorophenyl)methylideneamino]benzamide
CID 679105
3-chloro-N-[(4-fluorophenyl)methylideneamino]benzamide
CID 771424
N-[(E)-(4-tert-butylphenyl)methylideneamino]-4-(4-fluorophenyl)-2-oxo-1H-pyrimidine-6-carboxamide
CID 110525870

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methylideneamino]-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methylideneamino]-4H-thieno[3,2-b]pyrrole-5-carboxamide (CID 3228403) is N-[(4-fluorophenyl)methylideneamino]-4H-thieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methylideneamino]-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methylideneamino]-4H-thieno[3,2-b]pyrrole-5-carboxamide is O=C(NN=Cc1ccc(F)cc1)c1cc2sccc2[nH]1.
What is the InChIKey of N-[(4-fluorophenyl)methylideneamino]-4H-thieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is LIGWKZGLBVXNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3OS/c15-10-3-1-9(2-4-10)8-16-18-14(19)12-7-13-11(17-12)5-6-20-13/h1-8,17H,(H,18,19).
What are the key properties of N-[(4-fluorophenyl)methylideneamino]-4H-thieno[3,2-b]pyrrole-5-carboxamide?
N-[(4-fluorophenyl)methylideneamino]-4H-thieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methylideneamino]-4H-thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 3228403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).