N-[(E)-(2-hydroxyphenyl)methylideneamino]thiophene-2-carboxamide

C12H10N2O2S — CID 135472553

IUPACN-[(E)-(2-hydroxyphenyl)methylideneamino]thiophene-2-carboxamide
SMILESO=C(N/N=C/c1ccccc1O)c1cccs1
InChIInChI=1S/C12H10N2O2S/c15-10-5-2-1-4-9(10)8-13-14-12(16)11-6-3-7-17-11/h1-8,15H,(H,14,16)/b13-8+
InChIKeyPXDXCRHRUMIWQS-MDWZMJQESA-N
MW246.29 g/mol
LogP2.22
Rot. Bonds3

About N-[(E)-(2-hydroxyphenyl)methylideneamino]thiophene-2-carboxamide

N-[(E)-(2-hydroxyphenyl)methylideneamino]thiophene-2-carboxamide (PubChem CID 135472553) has the molecular formula C12H10N2O2S and a molecular weight of 246.29 g/mol. Its IUPAC name is N-[(E)-(2-hydroxyphenyl)methylideneamino]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxyphenyl)methylideneamino]thiophene-2-carboxamide
PubChem CID135472553
Molecular FormulaC12H10N2O2S
Molecular Weight246.29 g/mol
Exact Mass246.05
IUPAC NameN-[(E)-(2-hydroxyphenyl)methylideneamino]thiophene-2-carboxamide
SMILESO=C(N/N=C/c1ccccc1O)c1cccs1
InChIInChI=1S/C12H10N2O2S/c15-10-5-2-1-4-9(10)8-13-14-12(16)11-6-3-7-17-11/h1-8,15H,(H,14,16)/b13-8+
InChIKeyPXDXCRHRUMIWQS-MDWZMJQESA-N
XLogP2.22
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 52.22
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)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]thiophene-2-carboxamide
CID 6861722
N'-(3-methoxybenzylidene)-2-thiophenecarbohydrazide
CID 6880401
2-hydroxy-N-[(E)-1-thiophen-2-ylethylideneamino]benzamide
CID 5720831
N'-(3-hydroxybenzylidene)-1-benzothiophene-3-carbohydrazide
CID 6874810
N'-[(3-oxo-1-benzothien-2(3H)-ylidene)methyl]benzohydrazide
CID 135425030
N'-(4-hydroxybenzylidene)-1-benzothiophene-3-carbohydrazide
CID 135510997
N'-[(2-hydroxy-1-naphthyl)methylene]-2-thiophenecarbohydrazide
CID 135411337
(E)-N'-(3-allyl-2-hydroxybenzylidene)thiophene-2-carbohydrazide
CID 135411362
N'-(2-methoxybenzylidene)-4,5-dimethyl-3-thiophenecarbohydrazide
CID 9564820
N'-[(1E)-1-(5-bromothiophen-2-yl)ethylidene]-2-hydroxybenzohydrazide
CID 9594665
(E)-N-(2-(2-(2,4-dihydroxybenzylidene)hydrazinyl)-2-oxoethyl)thiophene-2-carboxamide
CID 135460481
N'-[(E)-(4-hydroxyphenyl)methylidene]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide
CID 135521422

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]thiophene-2-carboxamide?
The IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]thiophene-2-carboxamide (CID 135472553) is N-[(E)-(2-hydroxyphenyl)methylideneamino]thiophene-2-carboxamide.
What is the SMILES notation for N-[(E)-(2-hydroxyphenyl)methylideneamino]thiophene-2-carboxamide?
The canonical SMILES for N-[(E)-(2-hydroxyphenyl)methylideneamino]thiophene-2-carboxamide is O=C(N/N=C/c1ccccc1O)c1cccs1.
What is the InChIKey of N-[(E)-(2-hydroxyphenyl)methylideneamino]thiophene-2-carboxamide?
The InChIKey is PXDXCRHRUMIWQS-MDWZMJQESA-N. The full InChI is InChI=1S/C12H10N2O2S/c15-10-5-2-1-4-9(10)8-13-14-12(16)11-6-3-7-17-11/h1-8,15H,(H,14,16)/b13-8+.
What are the key properties of N-[(E)-(2-hydroxyphenyl)methylideneamino]thiophene-2-carboxamide?
N-[(E)-(2-hydroxyphenyl)methylideneamino]thiophene-2-carboxamide has a molecular weight of 246.29 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxyphenyl)methylideneamino]thiophene-2-carboxamide is sourced from PubChem (CID 135472553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).