N-[(Z)-1-(2-fluorophenyl)ethylideneamino]thiophene-2-carboxamide

C13H11FN2OS — CID 6144982

IUPACN-[(Z)-1-(2-fluorophenyl)ethylideneamino]thiophene-2-carboxamide
SMILESC/C(=N/NC(=O)c1cccs1)c1ccccc1F
InChIInChI=1S/C13H11FN2OS/c1-9(10-5-2-3-6-11(10)14)15-16-13(17)12-7-4-8-18-12/h2-8H,1H3,(H,16,17)/b15-9-
InChIKeyZRSSTGFNSQWICY-DHDCSXOGSA-N
MW262.31 g/mol
LogP3.04
Rot. Bonds3

About N-[(Z)-1-(2-fluorophenyl)ethylideneamino]thiophene-2-carboxamide

N-[(Z)-1-(2-fluorophenyl)ethylideneamino]thiophene-2-carboxamide (PubChem CID 6144982) has the molecular formula C13H11FN2OS and a molecular weight of 262.31 g/mol. Its IUPAC name is N-[(Z)-1-(2-fluorophenyl)ethylideneamino]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-(2-fluorophenyl)ethylideneamino]thiophene-2-carboxamide
PubChem CID6144982
Molecular FormulaC13H11FN2OS
Molecular Weight262.31 g/mol
Exact Mass262.06
IUPAC NameN-[(Z)-1-(2-fluorophenyl)ethylideneamino]thiophene-2-carboxamide
SMILESC/C(=N/NC(=O)c1cccs1)c1ccccc1F
InChIInChI=1S/C13H11FN2OS/c1-9(10-5-2-3-6-11(10)14)15-16-13(17)12-7-4-8-18-12/h2-8H,1H3,(H,16,17)/b15-9-
InChIKeyZRSSTGFNSQWICY-DHDCSXOGSA-N
XLogP3.04
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 ≤ 53.04
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-[1-(2-hydroxyphenyl)ethylideneamino]thiophene-2-carboxamide
CID 761702
N-[4-[N-[(2-fluorobenzoyl)amino]-C-methylcarbonimidoyl]phenyl]thiophene-2-carboxamide
CID 4165688
2-chloro-N-[(E)-1-thiophen-2-ylethylideneamino]benzamide
CID 5333978
2-methyl-N-[(E)-1-thiophen-2-ylethylideneamino]benzamide
CID 5428052
N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]thiophene-2-carboxamide
CID 136690194
5-[(Z)-C-methyl-N-(thiophene-2-carbonylamino)carbonimidoyl]thiophene-2-carboxylic acid
CID 6309805
N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]thiophene-2-carboxamide
CID 6299285
N-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]thiophene-2-carboxamide
CID 135685177
N-[(Z)-3,3-dimethylbutan-2-ylideneamino]thiophene-2-carboxamide
CID 5391936
2-fluoro-N-[(thiophene-2-carbonylamino)carbamothioyl]benzamide
CID 3324993
2-anilino-N-(1-thiophen-2-ylethylideneamino)benzamide
CID 5090031
N-[(Z)-pentan-2-ylideneamino]thiophene-2-carboxamide
CID 6088045

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(2-fluorophenyl)ethylideneamino]thiophene-2-carboxamide?
The IUPAC name of N-[(Z)-1-(2-fluorophenyl)ethylideneamino]thiophene-2-carboxamide (CID 6144982) is N-[(Z)-1-(2-fluorophenyl)ethylideneamino]thiophene-2-carboxamide.
What is the SMILES notation for N-[(Z)-1-(2-fluorophenyl)ethylideneamino]thiophene-2-carboxamide?
The canonical SMILES for N-[(Z)-1-(2-fluorophenyl)ethylideneamino]thiophene-2-carboxamide is C/C(=N/NC(=O)c1cccs1)c1ccccc1F.
What is the InChIKey of N-[(Z)-1-(2-fluorophenyl)ethylideneamino]thiophene-2-carboxamide?
The InChIKey is ZRSSTGFNSQWICY-DHDCSXOGSA-N. The full InChI is InChI=1S/C13H11FN2OS/c1-9(10-5-2-3-6-11(10)14)15-16-13(17)12-7-4-8-18-12/h2-8H,1H3,(H,16,17)/b15-9-.
What are the key properties of N-[(Z)-1-(2-fluorophenyl)ethylideneamino]thiophene-2-carboxamide?
N-[(Z)-1-(2-fluorophenyl)ethylideneamino]thiophene-2-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(2-fluorophenyl)ethylideneamino]thiophene-2-carboxamide is sourced from PubChem (CID 6144982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).