2-hydroxy-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide

C13H12N2O2S — CID 5417784

IUPAC2-hydroxy-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide
SMILESCc1ccc(/C=N\NC(=O)c2ccccc2O)s1
InChIInChI=1S/C13H12N2O2S/c1-9-6-7-10(18-9)8-14-15-13(17)11-4-2-3-5-12(11)16/h2-8,16H,1H3,(H,15,17)/b14-8-
InChIKeyVQSUDYFZXNCJGR-ZSOIEALJSA-N
MW260.32 g/mol
LogP2.53
Rot. Bonds3

About 2-hydroxy-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide

2-hydroxy-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide (PubChem CID 5417784) has the molecular formula C13H12N2O2S and a molecular weight of 260.32 g/mol. Its IUPAC name is 2-hydroxy-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-hydroxy-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide
PubChem CID5417784
Molecular FormulaC13H12N2O2S
Molecular Weight260.32 g/mol
Exact Mass260.06
IUPAC Name2-hydroxy-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide
SMILESCc1ccc(/C=N\NC(=O)c2ccccc2O)s1
InChIInChI=1S/C13H12N2O2S/c1-9-6-7-10(18-9)8-14-15-13(17)11-4-2-3-5-12(11)16/h2-8,16H,1H3,(H,15,17)/b14-8-
InChIKeyVQSUDYFZXNCJGR-ZSOIEALJSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-methyl-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 5418279
2-chloro-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 5396825
5-chloro-2-hydroxy-N-[(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 749495
2,5-dimethyl-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]furan-3-carboxamide
CID 6893765
2-methyl-N-[(5-methylthiophen-2-yl)methylideneamino]furan-3-carboxamide
CID 761677
2-methyl-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]furan-3-carboxamide
CID 6886797
2-hydroxy-N-[(Z)-(2-methylphenyl)methylideneamino]benzamide
CID 5392167
2-(2-hydroxyphenyl)-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]quinoline-4-carboxamide
CID 135647424
4-methyl-N-[(E)-(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 5418148
4-chloro-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 5416541
2-hydroxy-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]benzamide
CID 6898847
4-acetamido-N-[(5-methylthiophen-2-yl)methylideneamino]benzamide
CID 910371

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide?
The IUPAC name of 2-hydroxy-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide (CID 5417784) is 2-hydroxy-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide.
What is the SMILES notation for 2-hydroxy-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide?
The canonical SMILES for 2-hydroxy-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide is Cc1ccc(/C=N\NC(=O)c2ccccc2O)s1.
What is the InChIKey of 2-hydroxy-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide?
The InChIKey is VQSUDYFZXNCJGR-ZSOIEALJSA-N. The full InChI is InChI=1S/C13H12N2O2S/c1-9-6-7-10(18-9)8-14-15-13(17)11-4-2-3-5-12(11)16/h2-8,16H,1H3,(H,15,17)/b14-8-.
What are the key properties of 2-hydroxy-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide?
2-hydroxy-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide has a molecular weight of 260.32 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(Z)-(5-methylthiophen-2-yl)methylideneamino]benzamide is sourced from PubChem (CID 5417784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).