N-[(E)-1-(8-fluoro-4H-thieno[3,2-c]chromen-2-yl)ethylideneamino]ethanamine

C15H15FN2OS — CID 143268048

IUPACN-[(E)-1-(8-fluoro-4H-thieno[3,2-c]chromen-2-yl)ethylideneamino]ethanamine
SMILESCCN/N=C(\C)c1cc2c(s1)-c1cc(F)ccc1OC2
InChIInChI=1S/C15H15FN2OS/c1-3-17-18-9(2)14-6-10-8-19-13-5-4-11(16)7-12(13)15(10)20-14/h4-7,17H,3,8H2,1-2H3/b18-9+
InChIKeyLCZSIAZKGNKNMB-GIJQJNRQSA-N
MW290.36 g/mol
LogP3.78
Rot. Bonds3

About N-[(E)-1-(8-fluoro-4H-thieno[3,2-c]chromen-2-yl)ethylideneamino]ethanamine

N-[(E)-1-(8-fluoro-4H-thieno[3,2-c]chromen-2-yl)ethylideneamino]ethanamine (PubChem CID 143268048) has the molecular formula C15H15FN2OS and a molecular weight of 290.36 g/mol. Its IUPAC name is N-[(E)-1-(8-fluoro-4H-thieno[3,2-c]chromen-2-yl)ethylideneamino]ethanamine.

Molecular Properties

Compound NameN-[(E)-1-(8-fluoro-4H-thieno[3,2-c]chromen-2-yl)ethylideneamino]ethanamine
PubChem CID143268048
Molecular FormulaC15H15FN2OS
Molecular Weight290.36 g/mol
Exact Mass290.09
IUPAC NameN-[(E)-1-(8-fluoro-4H-thieno[3,2-c]chromen-2-yl)ethylideneamino]ethanamine
SMILESCCN/N=C(\C)c1cc2c(s1)-c1cc(F)ccc1OC2
InChIInChI=1S/C15H15FN2OS/c1-3-17-18-9(2)14-6-10-8-19-13-5-4-11(16)7-12(13)15(10)20-14/h4-7,17H,3,8H2,1-2H3/b18-9+
InChIKeyLCZSIAZKGNKNMB-GIJQJNRQSA-N
XLogP3.78
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.78
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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Related Compounds

N-[(E)-benzylideneamino]-8-fluoro-4H-thieno[3,2-c]chromene-2-carboxamide
CID 44722874
8-fluoro-2-(1-methoxyethyl)-4H-thieno[3,2-c]chromene
CID 143268060
N-[(E)-(2-chloroquinolin-3-yl)methylideneamino]-8-fluoro-4H-thieno[3,2-c]chromene-2-carboxamide
CID 44722872
N'-[2-(4-fluorophenyl)acetyl]-4H-thieno[3,2-c]chromene-2-carbohydrazide
CID 31725309
2-methyl-2-(4H-thieno[3,2-c]chromene-2-carbonylamino)butanoic acid
CID 119199749
4H-thieno[3,2-c]chromene-2-carboxylate
CID 2113887
[2-(4-fluoroanilino)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate
CID 7253215
N-(4-fluorophenyl)-2-[4-(4H-thieno[3,2-c]chromene-2-carbonyl)piperazin-1-yl]acetamide
CID 27849699
2-(4H-thieno[3,2-c]chromene-2-carbonylamino)butanoic acid
CID 119224142
[2-(tert-butylamino)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate
CID 7253097
N-[(2R)-1-methoxypropan-2-yl]-4H-thieno[3,2-c]chromene-2-carboxamide
CID 41187110
8-fluoro-4H-chromeno[3,4-d][1,2]oxazole
CID 55255299

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(8-fluoro-4H-thieno[3,2-c]chromen-2-yl)ethylideneamino]ethanamine?
The IUPAC name of N-[(E)-1-(8-fluoro-4H-thieno[3,2-c]chromen-2-yl)ethylideneamino]ethanamine (CID 143268048) is N-[(E)-1-(8-fluoro-4H-thieno[3,2-c]chromen-2-yl)ethylideneamino]ethanamine.
What is the SMILES notation for N-[(E)-1-(8-fluoro-4H-thieno[3,2-c]chromen-2-yl)ethylideneamino]ethanamine?
The canonical SMILES for N-[(E)-1-(8-fluoro-4H-thieno[3,2-c]chromen-2-yl)ethylideneamino]ethanamine is CCN/N=C(\C)c1cc2c(s1)-c1cc(F)ccc1OC2.
What is the InChIKey of N-[(E)-1-(8-fluoro-4H-thieno[3,2-c]chromen-2-yl)ethylideneamino]ethanamine?
The InChIKey is LCZSIAZKGNKNMB-GIJQJNRQSA-N. The full InChI is InChI=1S/C15H15FN2OS/c1-3-17-18-9(2)14-6-10-8-19-13-5-4-11(16)7-12(13)15(10)20-14/h4-7,17H,3,8H2,1-2H3/b18-9+.
What are the key properties of N-[(E)-1-(8-fluoro-4H-thieno[3,2-c]chromen-2-yl)ethylideneamino]ethanamine?
N-[(E)-1-(8-fluoro-4H-thieno[3,2-c]chromen-2-yl)ethylideneamino]ethanamine has a molecular weight of 290.36 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(8-fluoro-4H-thieno[3,2-c]chromen-2-yl)ethylideneamino]ethanamine is sourced from PubChem (CID 143268048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).