N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-pyrimidin-2-ylsulfanylacetamide

C13H12N4O2S — CID 135470863

IUPACN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-pyrimidin-2-ylsulfanylacetamide
SMILESO=C(CSc1ncccn1)N/N=C/c1ccccc1O
InChIInChI=1S/C13H12N4O2S/c18-11-5-2-1-4-10(11)8-16-17-12(19)9-20-13-14-6-3-7-15-13/h1-8,18H,9H2,(H,17,19)/b16-8+
InChIKeyMHKRVHWHEQHIGV-LZYBPNLTSA-N
MW288.33 g/mol
LogP1.42
Rot. Bonds5

About N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-pyrimidin-2-ylsulfanylacetamide

N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-pyrimidin-2-ylsulfanylacetamide (PubChem CID 135470863) has the molecular formula C13H12N4O2S and a molecular weight of 288.33 g/mol. Its IUPAC name is N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-pyrimidin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-pyrimidin-2-ylsulfanylacetamide
PubChem CID135470863
Molecular FormulaC13H12N4O2S
Molecular Weight288.33 g/mol
Exact Mass288.07
IUPAC NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-pyrimidin-2-ylsulfanylacetamide
SMILESO=C(CSc1ncccn1)N/N=C/c1ccccc1O
InChIInChI=1S/C13H12N4O2S/c18-11-5-2-1-4-10(11)8-16-17-12(19)9-20-13-14-6-3-7-15-13/h1-8,18H,9H2,(H,17,19)/b16-8+
InChIKeyMHKRVHWHEQHIGV-LZYBPNLTSA-N
XLogP1.42
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'}

Analyze N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-pyrimidin-2-ylsulfanylacetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-pyrimidin-2-ylsulfanylacetamide?
The IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-pyrimidin-2-ylsulfanylacetamide (CID 135470863) is N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-pyrimidin-2-ylsulfanylacetamide.
What is the SMILES notation for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-pyrimidin-2-ylsulfanylacetamide?
The canonical SMILES for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-pyrimidin-2-ylsulfanylacetamide is O=C(CSc1ncccn1)N/N=C/c1ccccc1O.
What is the InChIKey of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-pyrimidin-2-ylsulfanylacetamide?
The InChIKey is MHKRVHWHEQHIGV-LZYBPNLTSA-N. The full InChI is InChI=1S/C13H12N4O2S/c18-11-5-2-1-4-10(11)8-16-17-12(19)9-20-13-14-6-3-7-15-13/h1-8,18H,9H2,(H,17,19)/b16-8+.
What are the key properties of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-pyrimidin-2-ylsulfanylacetamide?
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-pyrimidin-2-ylsulfanylacetamide has a molecular weight of 288.33 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-pyrimidin-2-ylsulfanylacetamide is sourced from PubChem (CID 135470863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).