2-(3-oxo-1,4-benzothiazin-4-yl)-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]acetohydrazide

C19H16F3N3O4S — CID 55377611

IUPAC2-(3-oxo-1,4-benzothiazin-4-yl)-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]acetohydrazide
SMILESO=C(COc1cccc(C(F)(F)F)c1)NNC(=O)CN1C(=O)CSc2ccccc21
InChIInChI=1S/C19H16F3N3O4S/c20-19(21,22)12-4-3-5-13(8-12)29-10-17(27)24-23-16(26)9-25-14-6-1-2-7-15(14)30-11-18(25)28/h1-8H,9-11H2,(H,23,26)(H,24,27)
InChIKeyWOQQXHUSCHJSNZ-UHFFFAOYSA-N
MW439.42 g/mol
LogP2.37
Rot. Bonds5

About 2-(3-oxo-1,4-benzothiazin-4-yl)-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]acetohydrazide

2-(3-oxo-1,4-benzothiazin-4-yl)-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]acetohydrazide (PubChem CID 55377611) has the molecular formula C19H16F3N3O4S and a molecular weight of 439.42 g/mol. Its IUPAC name is 2-(3-oxo-1,4-benzothiazin-4-yl)-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]acetohydrazide.

Molecular Properties

Compound Name2-(3-oxo-1,4-benzothiazin-4-yl)-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]acetohydrazide
PubChem CID55377611
Molecular FormulaC19H16F3N3O4S
Molecular Weight439.42 g/mol
Exact Mass439.08
IUPAC Name2-(3-oxo-1,4-benzothiazin-4-yl)-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]acetohydrazide
SMILESO=C(COc1cccc(C(F)(F)F)c1)NNC(=O)CN1C(=O)CSc2ccccc21
InChIInChI=1S/C19H16F3N3O4S/c20-19(21,22)12-4-3-5-13(8-12)29-10-17(27)24-23-16(26)9-25-14-6-1-2-7-15(14)30-11-18(25)28/h1-8H,9-11H2,(H,23,26)(H,24,27)
InChIKeyWOQQXHUSCHJSNZ-UHFFFAOYSA-N
XLogP2.37
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.42
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(3-oxo-1,4-benzothiazin-4-yl)-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]acetohydrazide 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

2-(3-oxo-1,4-benzothiazin-4-yl)-N-(2-phenoxyethyl)acetamide
CID 18111140
N-(3-methoxyphenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 51194798
2-(3-oxo-1,4-benzothiazin-4-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 51195005
2-(3-oxo-1,4-benzothiazin-4-yl)-N-(4-phenoxybutyl)acetamide
CID 18120233
N-[4-methyl-3-(trifluoromethyl)phenyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 55480535
2-(4-iodophenoxy)-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]acetohydrazide
CID 4844211
3-pyrrol-1-yl-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]benzohydrazide
CID 60605892
N-(2-bromophenyl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 18195793
4-oxo-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide
CID 18275527
(E)-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enehydrazide
CID 26840117
N-(3-ethylpent-1-yn-3-yl)-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide
CID 18165935
N-[(2S)-1-aminopropan-2-yl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide;hydrochloride
CID 120508487

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-1,4-benzothiazin-4-yl)-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]acetohydrazide?
The IUPAC name of 2-(3-oxo-1,4-benzothiazin-4-yl)-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]acetohydrazide (CID 55377611) is 2-(3-oxo-1,4-benzothiazin-4-yl)-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]acetohydrazide.
What is the SMILES notation for 2-(3-oxo-1,4-benzothiazin-4-yl)-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]acetohydrazide?
The canonical SMILES for 2-(3-oxo-1,4-benzothiazin-4-yl)-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]acetohydrazide is O=C(COc1cccc(C(F)(F)F)c1)NNC(=O)CN1C(=O)CSc2ccccc21.
What is the InChIKey of 2-(3-oxo-1,4-benzothiazin-4-yl)-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]acetohydrazide?
The InChIKey is WOQQXHUSCHJSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O4S/c20-19(21,22)12-4-3-5-13(8-12)29-10-17(27)24-23-16(26)9-25-14-6-1-2-7-15(14)30-11-18(25)28/h1-8H,9-11H2,(H,23,26)(H,24,27).
What are the key properties of 2-(3-oxo-1,4-benzothiazin-4-yl)-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]acetohydrazide?
2-(3-oxo-1,4-benzothiazin-4-yl)-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]acetohydrazide has a molecular weight of 439.42 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-1,4-benzothiazin-4-yl)-N'-[2-[3-(trifluoromethyl)phenoxy]acetyl]acetohydrazide is sourced from PubChem (CID 55377611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).