N-[(3-fluorophenyl)methylideneamino]-5-methylthiophene-2-carboxamide

C13H11FN2OS — CID 841340

IUPACN-[(3-fluorophenyl)methylideneamino]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NN=Cc2cccc(F)c2)s1
InChIInChI=1S/C13H11FN2OS/c1-9-5-6-12(18-9)13(17)16-15-8-10-3-2-4-11(14)7-10/h2-8H,1H3,(H,16,17)
InChIKeyUDMYHSIJWWIYOK-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.96
Rot. Bonds3

About N-[(3-fluorophenyl)methylideneamino]-5-methylthiophene-2-carboxamide

N-[(3-fluorophenyl)methylideneamino]-5-methylthiophene-2-carboxamide (PubChem CID 841340) has the molecular formula C13H11FN2OS and a molecular weight of 262.31 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methylideneamino]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methylideneamino]-5-methylthiophene-2-carboxamide
PubChem CID841340
Molecular FormulaC13H11FN2OS
Molecular Weight262.31 g/mol
Exact Mass262.06
IUPAC NameN-[(3-fluorophenyl)methylideneamino]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NN=Cc2cccc(F)c2)s1
InChIInChI=1S/C13H11FN2OS/c1-9-5-6-12(18-9)13(17)16-15-8-10-3-2-4-11(14)7-10/h2-8H,1H3,(H,16,17)
InChIKeyUDMYHSIJWWIYOK-UHFFFAOYSA-N
XLogP2.96
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.96
H-Bond Donors ≤ 51
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

N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-5-methylthiophene-2-carboxamide
CID 5412074
3-fluoro-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5412010
N-[(3-fluorophenyl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
CID 5105214
N-[(Z)-(3-fluorophenyl)methylideneamino]-3-(4-methylphenyl)thiophene-2-carboxamide
CID 9027506
3-fluoro-N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]benzamide
CID 4031826
N-[(3-fluorophenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 2693745
N-[(3-fluorophenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-2-carboxamide
CID 175012801
3-chloro-N-[(3-fluorophenyl)methylideneamino]-1-benzothiophene-2-carboxamide
CID 5011440
N-[(E)-1,3-benzodioxol-4-ylmethylideneamino]-5-methylthiophene-2-carboxamide
CID 45109154
N-[(Z)-(3,4-difluorophenyl)methylideneamino]-5-(4-fluorophenyl)thiophene-2-carboxamide
CID 9183125
N-[(E)-(3-bromophenyl)methylideneamino]-3-fluorobenzamide
CID 5332626
1-[(Z)-(3-fluorophenyl)methylideneamino]-3-phenylthiourea
CID 6240099

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methylideneamino]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methylideneamino]-5-methylthiophene-2-carboxamide (CID 841340) is N-[(3-fluorophenyl)methylideneamino]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methylideneamino]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methylideneamino]-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)NN=Cc2cccc(F)c2)s1.
What is the InChIKey of N-[(3-fluorophenyl)methylideneamino]-5-methylthiophene-2-carboxamide?
The InChIKey is UDMYHSIJWWIYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2OS/c1-9-5-6-12(18-9)13(17)16-15-8-10-3-2-4-11(14)7-10/h2-8H,1H3,(H,16,17).
What are the key properties of N-[(3-fluorophenyl)methylideneamino]-5-methylthiophene-2-carboxamide?
N-[(3-fluorophenyl)methylideneamino]-5-methylthiophene-2-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methylideneamino]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 841340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).