5-fluoro-N-[(4-methylsulfanylphenyl)methylideneamino]thiophene-2-carboxamide

C13H11FN2OS2 — CID 171133970

IUPAC5-fluoro-N-[(4-methylsulfanylphenyl)methylideneamino]thiophene-2-carboxamide
SMILESCSc1ccc(C=NNC(=O)c2ccc(F)s2)cc1
InChIInChI=1S/C13H11FN2OS2/c1-18-10-4-2-9(3-5-10)8-15-16-13(17)11-6-7-12(14)19-11/h2-8H,1H3,(H,16,17)
InChIKeyIFPXFSISCMKCMW-UHFFFAOYSA-N
MW294.38 g/mol
LogP3.37
Rot. Bonds4

About 5-fluoro-N-[(4-methylsulfanylphenyl)methylideneamino]thiophene-2-carboxamide

5-fluoro-N-[(4-methylsulfanylphenyl)methylideneamino]thiophene-2-carboxamide (PubChem CID 171133970) has the molecular formula C13H11FN2OS2 and a molecular weight of 294.38 g/mol. Its IUPAC name is 5-fluoro-N-[(4-methylsulfanylphenyl)methylideneamino]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[(4-methylsulfanylphenyl)methylideneamino]thiophene-2-carboxamide
PubChem CID171133970
Molecular FormulaC13H11FN2OS2
Molecular Weight294.38 g/mol
Exact Mass294.03
IUPAC Name5-fluoro-N-[(4-methylsulfanylphenyl)methylideneamino]thiophene-2-carboxamide
SMILESCSc1ccc(C=NNC(=O)c2ccc(F)s2)cc1
InChIInChI=1S/C13H11FN2OS2/c1-18-10-4-2-9(3-5-10)8-15-16-13(17)11-6-7-12(14)19-11/h2-8H,1H3,(H,16,17)
InChIKeyIFPXFSISCMKCMW-UHFFFAOYSA-N
XLogP3.37
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 53.37
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)-(4-methylsulfanylphenyl)methylideneamino]thiophene-2-carboxamide
CID 6878439
5-fluoro-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]thiophene-2-carboxamide
CID 155881784
4-methyl-N-[(4-methylsulfanylphenyl)methylideneamino]benzamide
CID 913551
5-fluoro-N-[(E)-(2-hydroxyphenyl)methylideneamino]thiophene-2-carboxamide
CID 155881796
3-methyl-N-[(4-methylsulfanylphenyl)methylideneamino]thiophene-2-carboxamide
CID 841409
N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide
CID 6155446
N,N'-bis[(4-methylsulfanylphenyl)methylideneamino]pentanediamide
CID 4990030
N-(butylideneamino)-5-fluorothiophene-2-carboxamide
CID 171133999
3,4-dimethyl-N-[(4-methylsulfanylphenyl)methylideneamino]benzamide
CID 841000
4-methoxy-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]benzamide
CID 5404625
4-methoxy-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]benzamide
CID 5338338
3-methyl-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]benzamide
CID 5417741

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(4-methylsulfanylphenyl)methylideneamino]thiophene-2-carboxamide?
The IUPAC name of 5-fluoro-N-[(4-methylsulfanylphenyl)methylideneamino]thiophene-2-carboxamide (CID 171133970) is 5-fluoro-N-[(4-methylsulfanylphenyl)methylideneamino]thiophene-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-[(4-methylsulfanylphenyl)methylideneamino]thiophene-2-carboxamide?
The canonical SMILES for 5-fluoro-N-[(4-methylsulfanylphenyl)methylideneamino]thiophene-2-carboxamide is CSc1ccc(C=NNC(=O)c2ccc(F)s2)cc1.
What is the InChIKey of 5-fluoro-N-[(4-methylsulfanylphenyl)methylideneamino]thiophene-2-carboxamide?
The InChIKey is IFPXFSISCMKCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2OS2/c1-18-10-4-2-9(3-5-10)8-15-16-13(17)11-6-7-12(14)19-11/h2-8H,1H3,(H,16,17).
What are the key properties of 5-fluoro-N-[(4-methylsulfanylphenyl)methylideneamino]thiophene-2-carboxamide?
5-fluoro-N-[(4-methylsulfanylphenyl)methylideneamino]thiophene-2-carboxamide has a molecular weight of 294.38 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(4-methylsulfanylphenyl)methylideneamino]thiophene-2-carboxamide is sourced from PubChem (CID 171133970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).