N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]thiophene-2-carboxamide

C13H12N2O3S — CID 136690194

IUPACN-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]thiophene-2-carboxamide
SMILESC/C(=N\NC(=O)c1cccs1)c1cc(O)ccc1O
InChIInChI=1S/C13H12N2O3S/c1-8(10-7-9(16)4-5-11(10)17)14-15-13(18)12-3-2-6-19-12/h2-7,16-17H,1H3,(H,15,18)/b14-8+
InChIKeyUSBHEKURUMFAEZ-RIYZIHGNSA-N
MW276.32 g/mol
LogP2.31
Rot. Bonds3

About N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]thiophene-2-carboxamide

N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]thiophene-2-carboxamide (PubChem CID 136690194) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]thiophene-2-carboxamide
PubChem CID136690194
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC NameN-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]thiophene-2-carboxamide
SMILESC/C(=N\NC(=O)c1cccs1)c1cc(O)ccc1O
InChIInChI=1S/C13H12N2O3S/c1-8(10-7-9(16)4-5-11(10)17)14-15-13(18)12-3-2-6-19-12/h2-7,16-17H,1H3,(H,15,18)/b14-8+
InChIKeyUSBHEKURUMFAEZ-RIYZIHGNSA-N
XLogP2.31
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', '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-[1-(2-hydroxyphenyl)ethylideneamino]thiophene-2-carboxamide
CID 761702
N-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]thiophene-2-carboxamide
CID 135685177
N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-hydroxybenzamide
CID 135554989
N-[(Z)-1-(2-fluorophenyl)ethylideneamino]thiophene-2-carboxamide
CID 6144982
N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-4-phenylbenzamide
CID 135683679
N-[(E)-1-(2,6-dihydroxyphenyl)ethylideneamino]-2,5-dihydroxybenzamide
CID 135647794
3,4,5-trihydroxy-N-[(E)-1-thiophen-2-ylethylideneamino]benzamide
CID 6029877
N-[(Z)-1-(5-bromothiophen-2-yl)ethylideneamino]thiophene-2-carboxamide
CID 6299285
5-[(Z)-C-methyl-N-(thiophene-2-carbonylamino)carbonimidoyl]thiophene-2-carboxylic acid
CID 6309805
N-[1-(2,4-dihydroxyphenyl)ethylideneamino]-2-hydroxybenzamide
CID 708171
N-[(E)-1-(2,5-dimethylphenyl)ethylideneamino]-2,5-dihydroxybenzamide
CID 17337800
N-[1-(4-hydroxyphenyl)propylideneamino]thiophene-2-carboxamide
CID 951050

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]thiophene-2-carboxamide?
The IUPAC name of N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]thiophene-2-carboxamide (CID 136690194) is N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]thiophene-2-carboxamide.
What is the SMILES notation for N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]thiophene-2-carboxamide?
The canonical SMILES for N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]thiophene-2-carboxamide is C/C(=N\NC(=O)c1cccs1)c1cc(O)ccc1O.
What is the InChIKey of N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]thiophene-2-carboxamide?
The InChIKey is USBHEKURUMFAEZ-RIYZIHGNSA-N. The full InChI is InChI=1S/C13H12N2O3S/c1-8(10-7-9(16)4-5-11(10)17)14-15-13(18)12-3-2-6-19-12/h2-7,16-17H,1H3,(H,15,18)/b14-8+.
What are the key properties of N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]thiophene-2-carboxamide?
N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]thiophene-2-carboxamide has a molecular weight of 276.32 g/mol, XLogP of 2.31, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]thiophene-2-carboxamide is sourced from PubChem (CID 136690194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).