4-fluoro-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methylideneamino]aniline

C18H15FN2OS — CID 3319106

IUPAC4-fluoro-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methylideneamino]aniline
SMILESCOc1ccc(-c2ccc(C=NNc3ccc(F)cc3)s2)cc1
InChIInChI=1S/C18H15FN2OS/c1-22-16-8-2-13(3-9-16)18-11-10-17(23-18)12-20-21-15-6-4-14(19)5-7-15/h2-12,21H,1H3
InChIKeyLZPZCIMCXADJFO-UHFFFAOYSA-N
MW326.40 g/mol
LogP5.01
Rot. Bonds5

About 4-fluoro-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methylideneamino]aniline

4-fluoro-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methylideneamino]aniline (PubChem CID 3319106) has the molecular formula C18H15FN2OS and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-fluoro-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methylideneamino]aniline.

Molecular Properties

Compound Name4-fluoro-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methylideneamino]aniline
PubChem CID3319106
Molecular FormulaC18H15FN2OS
Molecular Weight326.40 g/mol
Exact Mass326.09
IUPAC Name4-fluoro-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methylideneamino]aniline
SMILESCOc1ccc(-c2ccc(C=NNc3ccc(F)cc3)s2)cc1
InChIInChI=1S/C18H15FN2OS/c1-22-16-8-2-13(3-9-16)18-11-10-17(23-18)12-20-21-15-6-4-14(19)5-7-15/h2-12,21H,1H3
InChIKeyLZPZCIMCXADJFO-UHFFFAOYSA-N
XLogP5.01
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.40
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methylideneamino]aniline?
The IUPAC name of 4-fluoro-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methylideneamino]aniline (CID 3319106) is 4-fluoro-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methylideneamino]aniline.
What is the SMILES notation for 4-fluoro-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methylideneamino]aniline?
The canonical SMILES for 4-fluoro-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methylideneamino]aniline is COc1ccc(-c2ccc(C=NNc3ccc(F)cc3)s2)cc1.
What is the InChIKey of 4-fluoro-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methylideneamino]aniline?
The InChIKey is LZPZCIMCXADJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2OS/c1-22-16-8-2-13(3-9-16)18-11-10-17(23-18)12-20-21-15-6-4-14(19)5-7-15/h2-12,21H,1H3.
What are the key properties of 4-fluoro-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methylideneamino]aniline?
4-fluoro-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methylideneamino]aniline has a molecular weight of 326.40 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[5-(4-methoxyphenyl)thiophen-2-yl]methylideneamino]aniline is sourced from PubChem (CID 3319106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).