N-[1-(2-hydroxyphenyl)ethylideneamino]thiophene-2-carboxamide

C13H12N2O2S — CID 761702

IUPACN-[1-(2-hydroxyphenyl)ethylideneamino]thiophene-2-carboxamide
SMILESCC(=NNC(=O)c1cccs1)c1ccccc1O
InChIInChI=1S/C13H12N2O2S/c1-9(10-5-2-3-6-11(10)16)14-15-13(17)12-7-4-8-18-12/h2-8,16H,1H3,(H,15,17)
InChIKeyBBKAHROJARYAAB-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.61
Rot. Bonds3

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

N-[1-(2-hydroxyphenyl)ethylideneamino]thiophene-2-carboxamide (PubChem CID 761702) has the molecular formula C13H12N2O2S and a molecular weight of 260.32 g/mol. Its IUPAC name is N-[1-(2-hydroxyphenyl)ethylideneamino]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-hydroxyphenyl)ethylideneamino]thiophene-2-carboxamide
PubChem CID761702
Molecular FormulaC13H12N2O2S
Molecular Weight260.32 g/mol
Exact Mass260.06
IUPAC NameN-[1-(2-hydroxyphenyl)ethylideneamino]thiophene-2-carboxamide
SMILESCC(=NNC(=O)c1cccs1)c1ccccc1O
InChIInChI=1S/C13H12N2O2S/c1-9(10-5-2-3-6-11(10)16)14-15-13(17)12-7-4-8-18-12/h2-8,16H,1H3,(H,15,17)
InChIKeyBBKAHROJARYAAB-UHFFFAOYSA-N
XLogP2.61
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]thiophene-2-carboxamide
CID 136690194
N-[(Z)-1-(2-fluorophenyl)ethylideneamino]thiophene-2-carboxamide
CID 6144982
N-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]thiophene-2-carboxamide
CID 135685177
2-hydroxy-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135472588
2-methyl-N-[(E)-1-thiophen-2-ylethylideneamino]benzamide
CID 5428052
2-chloro-N-[(E)-1-thiophen-2-ylethylideneamino]benzamide
CID 5333978
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
2-chloro-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135688203
3,4,5-trihydroxy-N-[(E)-1-thiophen-2-ylethylideneamino]benzamide
CID 6029877
1-N,3-N-bis[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzene-1,3-dicarboxamide
CID 135656933
N-[(Z)-3,3-dimethylbutan-2-ylideneamino]thiophene-2-carboxamide
CID 5391936

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-hydroxyphenyl)ethylideneamino]thiophene-2-carboxamide?
The IUPAC name of N-[1-(2-hydroxyphenyl)ethylideneamino]thiophene-2-carboxamide (CID 761702) is N-[1-(2-hydroxyphenyl)ethylideneamino]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-(2-hydroxyphenyl)ethylideneamino]thiophene-2-carboxamide?
The canonical SMILES for N-[1-(2-hydroxyphenyl)ethylideneamino]thiophene-2-carboxamide is CC(=NNC(=O)c1cccs1)c1ccccc1O.
What is the InChIKey of N-[1-(2-hydroxyphenyl)ethylideneamino]thiophene-2-carboxamide?
The InChIKey is BBKAHROJARYAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2S/c1-9(10-5-2-3-6-11(10)16)14-15-13(17)12-7-4-8-18-12/h2-8,16H,1H3,(H,15,17).
What are the key properties of N-[1-(2-hydroxyphenyl)ethylideneamino]thiophene-2-carboxamide?
N-[1-(2-hydroxyphenyl)ethylideneamino]thiophene-2-carboxamide has a molecular weight of 260.32 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-hydroxyphenyl)ethylideneamino]thiophene-2-carboxamide is sourced from PubChem (CID 761702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).