(8Z)-8-(fluoromethylidene)-6H-pyrrolo[2,3-g][1,3]benzothiazol-7-one

C10H5FN2OS — CID 142017797

IUPAC(8Z)-8-(fluoromethylidene)-6H-pyrrolo[2,3-g][1,3]benzothiazol-7-one
SMILESO=C1Nc2ccc3ncsc3c2/C1=C/F
InChIInChI=1S/C10H5FN2OS/c11-3-5-8-6(13-10(5)14)1-2-7-9(8)15-4-12-7/h1-4H,(H,13,14)/b5-3-
InChIKeyDNYLEDOHLKSYLD-HYXAFXHYSA-N
MW220.23 g/mol
LogP2.56
Rot. Bonds

About (8Z)-8-(fluoromethylidene)-6H-pyrrolo[2,3-g][1,3]benzothiazol-7-one

(8Z)-8-(fluoromethylidene)-6H-pyrrolo[2,3-g][1,3]benzothiazol-7-one (PubChem CID 142017797) has the molecular formula C10H5FN2OS and a molecular weight of 220.23 g/mol. Its IUPAC name is (8Z)-8-(fluoromethylidene)-6H-pyrrolo[2,3-g][1,3]benzothiazol-7-one.

Molecular Properties

Compound Name(8Z)-8-(fluoromethylidene)-6H-pyrrolo[2,3-g][1,3]benzothiazol-7-one
PubChem CID142017797
Molecular FormulaC10H5FN2OS
Molecular Weight220.23 g/mol
Exact Mass220.01
IUPAC Name(8Z)-8-(fluoromethylidene)-6H-pyrrolo[2,3-g][1,3]benzothiazol-7-one
SMILESO=C1Nc2ccc3ncsc3c2/C1=C/F
InChIInChI=1S/C10H5FN2OS/c11-3-5-8-6(13-10(5)14)1-2-7-9(8)15-4-12-7/h1-4H,(H,13,14)/b5-3-
InChIKeyDNYLEDOHLKSYLD-HYXAFXHYSA-N
XLogP2.56
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (8Z)-8-(fluoromethylidene)-6H-pyrrolo[2,3-g][1,3]benzothiazol-7-one 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 (8Z)-8-(fluoromethylidene)-6H-pyrrolo[2,3-g][1,3]benzothiazol-7-one?
The IUPAC name of (8Z)-8-(fluoromethylidene)-6H-pyrrolo[2,3-g][1,3]benzothiazol-7-one (CID 142017797) is (8Z)-8-(fluoromethylidene)-6H-pyrrolo[2,3-g][1,3]benzothiazol-7-one.
What is the SMILES notation for (8Z)-8-(fluoromethylidene)-6H-pyrrolo[2,3-g][1,3]benzothiazol-7-one?
The canonical SMILES for (8Z)-8-(fluoromethylidene)-6H-pyrrolo[2,3-g][1,3]benzothiazol-7-one is O=C1Nc2ccc3ncsc3c2/C1=C/F.
What is the InChIKey of (8Z)-8-(fluoromethylidene)-6H-pyrrolo[2,3-g][1,3]benzothiazol-7-one?
The InChIKey is DNYLEDOHLKSYLD-HYXAFXHYSA-N. The full InChI is InChI=1S/C10H5FN2OS/c11-3-5-8-6(13-10(5)14)1-2-7-9(8)15-4-12-7/h1-4H,(H,13,14)/b5-3-.
What are the key properties of (8Z)-8-(fluoromethylidene)-6H-pyrrolo[2,3-g][1,3]benzothiazol-7-one?
(8Z)-8-(fluoromethylidene)-6H-pyrrolo[2,3-g][1,3]benzothiazol-7-one has a molecular weight of 220.23 g/mol, XLogP of 2.56, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8Z)-8-(fluoromethylidene)-6H-pyrrolo[2,3-g][1,3]benzothiazol-7-one is sourced from PubChem (CID 142017797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).