N-[(E)-(3-hydroxyphenyl)methylideneamino]-2-(1-methyltetrazol-5-yl)sulfanylacetamide

C11H12N6O2S — CID 71459450

IUPACN-[(E)-(3-hydroxyphenyl)methylideneamino]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCn1nnnc1SCC(=O)N/N=C/c1cccc(O)c1
InChIInChI=1S/C11H12N6O2S/c1-17-11(14-15-16-17)20-7-10(19)13-12-6-8-3-2-4-9(18)5-8/h2-6,18H,7H2,1H3,(H,13,19)/b12-6+
InChIKeyGKOBAJCHEFVILJ-WUXMJOGZSA-N
MW292.32 g/mol
LogP0.16
Rot. Bonds5

About N-[(E)-(3-hydroxyphenyl)methylideneamino]-2-(1-methyltetrazol-5-yl)sulfanylacetamide

N-[(E)-(3-hydroxyphenyl)methylideneamino]-2-(1-methyltetrazol-5-yl)sulfanylacetamide (PubChem CID 71459450) has the molecular formula C11H12N6O2S and a molecular weight of 292.32 g/mol. Its IUPAC name is N-[(E)-(3-hydroxyphenyl)methylideneamino]-2-(1-methyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(E)-(3-hydroxyphenyl)methylideneamino]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
PubChem CID71459450
Molecular FormulaC11H12N6O2S
Molecular Weight292.32 g/mol
Exact Mass292.07
IUPAC NameN-[(E)-(3-hydroxyphenyl)methylideneamino]-2-(1-methyltetrazol-5-yl)sulfanylacetamide
SMILESCn1nnnc1SCC(=O)N/N=C/c1cccc(O)c1
InChIInChI=1S/C11H12N6O2S/c1-17-11(14-15-16-17)20-7-10(19)13-12-6-8-3-2-4-9(18)5-8/h2-6,18H,7H2,1H3,(H,13,19)/b12-6+
InChIKeyGKOBAJCHEFVILJ-WUXMJOGZSA-N
XLogP0.16
TPSA105.29 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-hydroxyphenyl)methylideneamino]-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-[(E)-(3-hydroxyphenyl)methylideneamino]-2-(1-methyltetrazol-5-yl)sulfanylacetamide (CID 71459450) is N-[(E)-(3-hydroxyphenyl)methylideneamino]-2-(1-methyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-[(E)-(3-hydroxyphenyl)methylideneamino]-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-[(E)-(3-hydroxyphenyl)methylideneamino]-2-(1-methyltetrazol-5-yl)sulfanylacetamide is Cn1nnnc1SCC(=O)N/N=C/c1cccc(O)c1.
What is the InChIKey of N-[(E)-(3-hydroxyphenyl)methylideneamino]-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is GKOBAJCHEFVILJ-WUXMJOGZSA-N. The full InChI is InChI=1S/C11H12N6O2S/c1-17-11(14-15-16-17)20-7-10(19)13-12-6-8-3-2-4-9(18)5-8/h2-6,18H,7H2,1H3,(H,13,19)/b12-6+.
What are the key properties of N-[(E)-(3-hydroxyphenyl)methylideneamino]-2-(1-methyltetrazol-5-yl)sulfanylacetamide?
N-[(E)-(3-hydroxyphenyl)methylideneamino]-2-(1-methyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 292.32 g/mol, XLogP of 0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-hydroxyphenyl)methylideneamino]-2-(1-methyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 71459450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).