(Z)-3-amino-2-aminosulfanyl-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]but-2-enamide

C12H16N4O2S — CID 143745231

IUPAC(Z)-3-amino-2-aminosulfanyl-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]but-2-enamide
SMILESC/C(N)=C(/SN)C(=O)N/N=C/c1cc(C)ccc1O
InChIInChI=1S/C12H16N4O2S/c1-7-3-4-10(17)9(5-7)6-15-16-12(18)11(19-14)8(2)13/h3-6,17H,13-14H2,1-2H3,(H,16,18)/b11-8-,15-6+
InChIKeyZQMBPWXJUOTAGP-NPEJIYSZSA-N
MW280.35 g/mol
LogP0.95
Rot. Bonds4

About (Z)-3-amino-2-aminosulfanyl-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]but-2-enamide

(Z)-3-amino-2-aminosulfanyl-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]but-2-enamide (PubChem CID 143745231) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is (Z)-3-amino-2-aminosulfanyl-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]but-2-enamide.

Molecular Properties

Compound Name(Z)-3-amino-2-aminosulfanyl-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]but-2-enamide
PubChem CID143745231
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name(Z)-3-amino-2-aminosulfanyl-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]but-2-enamide
SMILESC/C(N)=C(/SN)C(=O)N/N=C/c1cc(C)ccc1O
InChIInChI=1S/C12H16N4O2S/c1-7-3-4-10(17)9(5-7)6-15-16-12(18)11(19-14)8(2)13/h3-6,17H,13-14H2,1-2H3,(H,16,18)/b11-8-,15-6+
InChIKeyZQMBPWXJUOTAGP-NPEJIYSZSA-N
XLogP0.95
TPSA113.73 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 50.95
H-Bond Donors ≤ 54
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': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (Z)-3-amino-2-aminosulfanyl-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]but-2-enamide 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

Acetic (2-hydroxybenzylidene)hydrazide
CID 135442996
N-[(E)-[3-[(E)-(Acetylhydrazono)methyl]-2-hydroxy-5-isopropyl-phenyl]methyleneamino]acetamide
CID 135455074
N'-(4-hydroxybenzylidene)-3,4-dimethyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carbohydrazide
CID 135426219
N-[[(5E)-5-[(2-acetylhydrazinyl)methylidene]-3-tert-butyl-6-oxocyclohexa-1,3-dien-1-yl]methylideneamino]acetamide
CID 135460417
N'-[(E)-(2-Hydroxyphenyl)methylidene]-6-oxo-1,6-dihydro-3-pyridazinecarbohydrazide
CID 135656379
N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]acetamide
CID 135723720
N-[(E)-(5-tert-butyl-2-hydroxyphenyl)methylideneamino]acetamide
CID 136184469
N-[(2-hydroxyphenyl)methylideneamino]acetamide
CID 739349
(2E,4E)-N-[(E)-(4-hydroxyphenyl)methylideneamino]hexa-2,4-dienamide
CID 136240160
N-[(E)-(3-fluoro-2-hydroxy-5-methylphenyl)methylideneamino]acetamide
CID 163229900
N-[[3-[(acetylhydrazinylidene)methyl]-2-hydroxy-5-propan-2-ylphenyl]methylideneamino]acetamide
CID 829518
N-[[3-[(acetylhydrazinylidene)methyl]-5-tert-butyl-2-hydroxyphenyl]methylideneamino]acetamide
CID 829520

Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-2-aminosulfanyl-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]but-2-enamide?
The IUPAC name of (Z)-3-amino-2-aminosulfanyl-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]but-2-enamide (CID 143745231) is (Z)-3-amino-2-aminosulfanyl-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]but-2-enamide.
What is the SMILES notation for (Z)-3-amino-2-aminosulfanyl-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]but-2-enamide?
The canonical SMILES for (Z)-3-amino-2-aminosulfanyl-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]but-2-enamide is C/C(N)=C(/SN)C(=O)N/N=C/c1cc(C)ccc1O.
What is the InChIKey of (Z)-3-amino-2-aminosulfanyl-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]but-2-enamide?
The InChIKey is ZQMBPWXJUOTAGP-NPEJIYSZSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-7-3-4-10(17)9(5-7)6-15-16-12(18)11(19-14)8(2)13/h3-6,17H,13-14H2,1-2H3,(H,16,18)/b11-8-,15-6+.
What are the key properties of (Z)-3-amino-2-aminosulfanyl-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]but-2-enamide?
(Z)-3-amino-2-aminosulfanyl-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]but-2-enamide has a molecular weight of 280.35 g/mol, XLogP of 0.95, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-2-aminosulfanyl-N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]but-2-enamide is sourced from PubChem (CID 143745231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).