(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'}

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Related Compounds

(8Z)-8-(morpholin-3-ylmethylidene)-6H-pyrrolo[2,3-g][1,3]benzothiazol-7-one
CID 71586247
(8R)-8-methylsulfanyl-6,8-dihydropyrrolo[2,3-g][1,3]benzothiazol-7-one
CID 98044749
N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-N-methyl-4-[(7-oxo-6H-pyrrolo[2,3-g][1,3]benzothiazol-8-ylidene)amino]benzenesulfonamide
CID 136870403
(1Z)-1-ethylidene-3H-pyrrolo[3,2-f]quinolin-2-one
CID 142017800
7-methyl-1,3-benzothiazole-6-carbaldehyde
CID 166070015
[1,3]thiazolo[5,4-e][2,1]benzoxazole
CID 57349206
(1Z)-1-butylidene-3H-pyrrolo[3,2-f]quinolin-2-one;ethane;molecular hydrogen
CID 142017819
7-chloro-6-methyl-1,3-benzothiazole
CID 67962941
N-acetyl-4-[(7-oxo-6,8-dihydropyrrolo[2,3-g][1,3]benzothiazol-8-yl)methylideneamino]benzenesulfonimidate
CID 91899206
1,3-benzothiazol-7-ol
CID 23289256
2-(1,3-benzothiazol-7-yl)acetaldehyde
CID 83874739
(3E)-5-chloro-3-[(2,4-dichlorophenyl)methylidene]-1H-indol-2-one
CID 6243320

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).