2,2-difluoro-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetohydrazide

C12H9F2N3O2S2 — CID 63576313

IUPAC2,2-difluoro-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetohydrazide
SMILESCc1nc2c(cc(OC(F)(F)C(=O)NN)c3ccsc32)s1
InChIInChI=1S/C12H9F2N3O2S2/c1-5-16-9-8(21-5)4-7(6-2-3-20-10(6)9)19-12(13,14)11(18)17-15/h2-4H,15H2,1H3,(H,17,18)
InChIKeyYQHFRDOWBRRXPE-UHFFFAOYSA-N
MW329.35 g/mol
LogP2.78
Rot. Bonds3

About 2,2-difluoro-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetohydrazide

2,2-difluoro-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetohydrazide (PubChem CID 63576313) has the molecular formula C12H9F2N3O2S2 and a molecular weight of 329.35 g/mol. Its IUPAC name is 2,2-difluoro-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetohydrazide.

Molecular Properties

Compound Name2,2-difluoro-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetohydrazide
PubChem CID63576313
Molecular FormulaC12H9F2N3O2S2
Molecular Weight329.35 g/mol
Exact Mass329.01
IUPAC Name2,2-difluoro-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetohydrazide
SMILESCc1nc2c(cc(OC(F)(F)C(=O)NN)c3ccsc32)s1
InChIInChI=1S/C12H9F2N3O2S2/c1-5-16-9-8(21-5)4-7(6-2-3-20-10(6)9)19-12(13,14)11(18)17-15/h2-4H,15H2,1H3,(H,17,18)
InChIKeyYQHFRDOWBRRXPE-UHFFFAOYSA-N
XLogP2.78
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2,2-difluoro-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetohydrazide 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 2,2-difluoro-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetohydrazide?
The IUPAC name of 2,2-difluoro-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetohydrazide (CID 63576313) is 2,2-difluoro-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetohydrazide.
What is the SMILES notation for 2,2-difluoro-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetohydrazide?
The canonical SMILES for 2,2-difluoro-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetohydrazide is Cc1nc2c(cc(OC(F)(F)C(=O)NN)c3ccsc32)s1.
What is the InChIKey of 2,2-difluoro-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetohydrazide?
The InChIKey is YQHFRDOWBRRXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2N3O2S2/c1-5-16-9-8(21-5)4-7(6-2-3-20-10(6)9)19-12(13,14)11(18)17-15/h2-4H,15H2,1H3,(H,17,18).
What are the key properties of 2,2-difluoro-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetohydrazide?
2,2-difluoro-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetohydrazide has a molecular weight of 329.35 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetohydrazide is sourced from PubChem (CID 63576313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).