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

C14H13N3O2S — CID 71586247

IUPAC(8Z)-8-(morpholin-3-ylmethylidene)-6H-pyrrolo[2,3-g][1,3]benzothiazol-7-one
SMILESO=C1Nc2ccc3ncsc3c2/C1=C/C1COCCN1
InChIInChI=1S/C14H13N3O2S/c18-14-9(5-8-6-19-4-3-15-8)12-10(17-14)1-2-11-13(12)20-7-16-11/h1-2,5,7-8,15H,3-4,6H2,(H,17,18)/b9-5-
InChIKeyGUUMRABOVBQXTD-UITAMQMPSA-N
MW287.34 g/mol
LogP1.62
Rot. Bonds1

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

(8Z)-8-(morpholin-3-ylmethylidene)-6H-pyrrolo[2,3-g][1,3]benzothiazol-7-one (PubChem CID 71586247) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is (8Z)-8-(morpholin-3-ylmethylidene)-6H-pyrrolo[2,3-g][1,3]benzothiazol-7-one.

Molecular Properties

Compound Name(8Z)-8-(morpholin-3-ylmethylidene)-6H-pyrrolo[2,3-g][1,3]benzothiazol-7-one
PubChem CID71586247
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC Name(8Z)-8-(morpholin-3-ylmethylidene)-6H-pyrrolo[2,3-g][1,3]benzothiazol-7-one
SMILESO=C1Nc2ccc3ncsc3c2/C1=C/C1COCCN1
InChIInChI=1S/C14H13N3O2S/c18-14-9(5-8-6-19-4-3-15-8)12-10(17-14)1-2-11-13(12)20-7-16-11/h1-2,5,7-8,15H,3-4,6H2,(H,17,18)/b9-5-
InChIKeyGUUMRABOVBQXTD-UITAMQMPSA-N
XLogP1.62
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (8Z)-8-(morpholin-3-ylmethylidene)-6H-pyrrolo[2,3-g][1,3]benzothiazol-7-one?
The IUPAC name of (8Z)-8-(morpholin-3-ylmethylidene)-6H-pyrrolo[2,3-g][1,3]benzothiazol-7-one (CID 71586247) is (8Z)-8-(morpholin-3-ylmethylidene)-6H-pyrrolo[2,3-g][1,3]benzothiazol-7-one.
What is the SMILES notation for (8Z)-8-(morpholin-3-ylmethylidene)-6H-pyrrolo[2,3-g][1,3]benzothiazol-7-one?
The canonical SMILES for (8Z)-8-(morpholin-3-ylmethylidene)-6H-pyrrolo[2,3-g][1,3]benzothiazol-7-one is O=C1Nc2ccc3ncsc3c2/C1=C/C1COCCN1.
What is the InChIKey of (8Z)-8-(morpholin-3-ylmethylidene)-6H-pyrrolo[2,3-g][1,3]benzothiazol-7-one?
The InChIKey is GUUMRABOVBQXTD-UITAMQMPSA-N. The full InChI is InChI=1S/C14H13N3O2S/c18-14-9(5-8-6-19-4-3-15-8)12-10(17-14)1-2-11-13(12)20-7-16-11/h1-2,5,7-8,15H,3-4,6H2,(H,17,18)/b9-5-.
What are the key properties of (8Z)-8-(morpholin-3-ylmethylidene)-6H-pyrrolo[2,3-g][1,3]benzothiazol-7-one?
(8Z)-8-(morpholin-3-ylmethylidene)-6H-pyrrolo[2,3-g][1,3]benzothiazol-7-one has a molecular weight of 287.34 g/mol, XLogP of 1.62, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8Z)-8-(morpholin-3-ylmethylidene)-6H-pyrrolo[2,3-g][1,3]benzothiazol-7-one is sourced from PubChem (CID 71586247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).