2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-sulfanylidene-N-[2-(trifluoromethyl)phenyl]acetamide

C16H12F3N3O2S — CID 136625822

IUPAC2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-sulfanylidene-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Nc1ccccc1C(F)(F)F)C(=S)N/N=C/c1ccccc1O
InChIInChI=1S/C16H12F3N3O2S/c17-16(18,19)11-6-2-3-7-12(11)21-14(24)15(25)22-20-9-10-5-1-4-8-13(10)23/h1-9,23H,(H,21,24)(H,22,25)/b20-9+
InChIKeyYZGDZIWHYDZSRS-AWQFTUOYSA-N
MW367.35 g/mol
LogP3.30
Rot. Bonds3

About 2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-sulfanylidene-N-[2-(trifluoromethyl)phenyl]acetamide

2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-sulfanylidene-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 136625822) has the molecular formula C16H12F3N3O2S and a molecular weight of 367.35 g/mol. Its IUPAC name is 2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-sulfanylidene-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-sulfanylidene-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID136625822
Molecular FormulaC16H12F3N3O2S
Molecular Weight367.35 g/mol
Exact Mass367.06
IUPAC Name2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-sulfanylidene-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Nc1ccccc1C(F)(F)F)C(=S)N/N=C/c1ccccc1O
InChIInChI=1S/C16H12F3N3O2S/c17-16(18,19)11-6-2-3-7-12(11)21-14(24)15(25)22-20-9-10-5-1-4-8-13(10)23/h1-9,23H,(H,21,24)(H,22,25)/b20-9+
InChIKeyYZGDZIWHYDZSRS-AWQFTUOYSA-N
XLogP3.30
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.35
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-(2-(3-Allyl-2-hydroxybenzylidene)hydrazino)-N-(4-methylphenyl)-2-oxoacetamide
CID 135433321
4-[(2E)-2-(2-hydroxybenzylidene)hydrazino]-N-(4-methylphenyl)-4-oxobutanamide
CID 135683576
2-[(2E)-2-(2-hydroxybenzylidene)hydrazinyl]-N-(2-methylphenyl)-2-oxoacetamide
CID 135419636
N'-(3-allyl-2-hydroxybenzylidene)-2-anilinoacetohydrazide
CID 135490294
4-[(2E)-2-(3-allyl-2-hydroxybenzylidene)hydrazino]-N-(4-fluorophenyl)-4-oxobutanamide
CID 135517031
(Z)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(2-hydroxybenzylidene)hydrazinecarbothioamide
CID 135517161
N'-[(1E)-(2-hydroxyphenyl)methylidene]-2-(1,2,3,4-tetrahydroquinolin-1-yl)acetohydrazide
CID 135521563
N'-(2-Hydroxybenzylidene)-2-(3-toluidino)acetohydrazide
CID 135479388
2-(2-(2-Hydroxybenzylidene)hydrazino)-N-(4-methylphenyl)-2-oxoacetamide
CID 135459122
N-(4-fluorophenyl)-4-[(2E)-2-(2-hydroxybenzylidene)hydrazinyl]-4-oxobutanamide
CID 135439722
N-(4-Ethylphenyl)-2-(2-(2-hydroxybenzylidene)hydrazino)-2-oxoacetamide
CID 135531554
2-(4-fluoroanilino)-N'-[(2-hydroxyphenyl)methylene]acetohydrazide
CID 135698698

Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-sulfanylidene-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-sulfanylidene-N-[2-(trifluoromethyl)phenyl]acetamide (CID 136625822) is 2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-sulfanylidene-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-sulfanylidene-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-sulfanylidene-N-[2-(trifluoromethyl)phenyl]acetamide is O=C(Nc1ccccc1C(F)(F)F)C(=S)N/N=C/c1ccccc1O.
What is the InChIKey of 2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-sulfanylidene-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is YZGDZIWHYDZSRS-AWQFTUOYSA-N. The full InChI is InChI=1S/C16H12F3N3O2S/c17-16(18,19)11-6-2-3-7-12(11)21-14(24)15(25)22-20-9-10-5-1-4-8-13(10)23/h1-9,23H,(H,21,24)(H,22,25)/b20-9+.
What are the key properties of 2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-sulfanylidene-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-sulfanylidene-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 367.35 g/mol, XLogP of 3.30, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-sulfanylidene-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 136625822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).