2-hydroxy-N-[(E)-(2-methylsulfanylpyrimidin-5-yl)methylideneamino]benzamide

C13H12N4O2S — CID 17019858

IUPAC2-hydroxy-N-[(E)-(2-methylsulfanylpyrimidin-5-yl)methylideneamino]benzamide
SMILESCSc1ncc(/C=N/NC(=O)c2ccccc2O)cn1
InChIInChI=1S/C13H12N4O2S/c1-20-13-14-6-9(7-15-13)8-16-17-12(19)10-4-2-3-5-11(10)18/h2-8,18H,1H3,(H,17,19)/b16-8+
InChIKeyUBYXARJKRRJANY-LZYBPNLTSA-N
MW288.33 g/mol
LogP1.67
Rot. Bonds4

About 2-hydroxy-N-[(E)-(2-methylsulfanylpyrimidin-5-yl)methylideneamino]benzamide

2-hydroxy-N-[(E)-(2-methylsulfanylpyrimidin-5-yl)methylideneamino]benzamide (PubChem CID 17019858) has the molecular formula C13H12N4O2S and a molecular weight of 288.33 g/mol. Its IUPAC name is 2-hydroxy-N-[(E)-(2-methylsulfanylpyrimidin-5-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-hydroxy-N-[(E)-(2-methylsulfanylpyrimidin-5-yl)methylideneamino]benzamide
PubChem CID17019858
Molecular FormulaC13H12N4O2S
Molecular Weight288.33 g/mol
Exact Mass288.07
IUPAC Name2-hydroxy-N-[(E)-(2-methylsulfanylpyrimidin-5-yl)methylideneamino]benzamide
SMILESCSc1ncc(/C=N/NC(=O)c2ccccc2O)cn1
InChIInChI=1S/C13H12N4O2S/c1-20-13-14-6-9(7-15-13)8-16-17-12(19)10-4-2-3-5-11(10)18/h2-8,18H,1H3,(H,17,19)/b16-8+
InChIKeyUBYXARJKRRJANY-LZYBPNLTSA-N
XLogP1.67
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-hydroxy-N-[(E)-(2-methylsulfanylpyrimidin-5-yl)methylideneamino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-tert-butylphenyl)methylideneamino]-2-hydroxybenzamide
CID 793892
N-[(Z)-(3,5-dibromo-4-methylphenyl)methylideneamino]-2-hydroxybenzamide
CID 126052608
2-hydroxy-N-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]benzamide
CID 4683367
N-[(E)-benzylideneamino]-2-hydroxybenzamide;2,2,2-trifluoroacetic acid
CID 57397723
N-[(2-fluorophenyl)methylideneamino]-2-hydroxybenzamide
CID 674709
2-hydroxy-N-[(Z)-(2-methylphenyl)methylideneamino]benzamide
CID 5392167
2-hydroxy-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]benzamide
CID 6898847
2-hydroxy-N-[(E)-(3-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 6876861
N-[(Z)-(3-bromo-4-propoxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 110509521
N-[(Z)-(3-chloro-4,5-diethoxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 110509511
N-[(Z)-(3-bromo-4,5-diethoxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 110509515
N-[(2-chloro-3-phenylprop-2-enylidene)amino]-2-hydroxybenzamide
CID 4587352

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(E)-(2-methylsulfanylpyrimidin-5-yl)methylideneamino]benzamide?
The IUPAC name of 2-hydroxy-N-[(E)-(2-methylsulfanylpyrimidin-5-yl)methylideneamino]benzamide (CID 17019858) is 2-hydroxy-N-[(E)-(2-methylsulfanylpyrimidin-5-yl)methylideneamino]benzamide.
What is the SMILES notation for 2-hydroxy-N-[(E)-(2-methylsulfanylpyrimidin-5-yl)methylideneamino]benzamide?
The canonical SMILES for 2-hydroxy-N-[(E)-(2-methylsulfanylpyrimidin-5-yl)methylideneamino]benzamide is CSc1ncc(/C=N/NC(=O)c2ccccc2O)cn1.
What is the InChIKey of 2-hydroxy-N-[(E)-(2-methylsulfanylpyrimidin-5-yl)methylideneamino]benzamide?
The InChIKey is UBYXARJKRRJANY-LZYBPNLTSA-N. The full InChI is InChI=1S/C13H12N4O2S/c1-20-13-14-6-9(7-15-13)8-16-17-12(19)10-4-2-3-5-11(10)18/h2-8,18H,1H3,(H,17,19)/b16-8+.
What are the key properties of 2-hydroxy-N-[(E)-(2-methylsulfanylpyrimidin-5-yl)methylideneamino]benzamide?
2-hydroxy-N-[(E)-(2-methylsulfanylpyrimidin-5-yl)methylideneamino]benzamide has a molecular weight of 288.33 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(E)-(2-methylsulfanylpyrimidin-5-yl)methylideneamino]benzamide is sourced from PubChem (CID 17019858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).