pyrrolo[2,3-f][2,1]benzothiazine

C10H6N2S — CID 69499659

IUPACpyrrolo[2,3-f][2,1]benzothiazine
SMILESc1cc2ccc3nsccc3c2n1
InChIInChI=1S/C10H6N2S/c1-2-9-8(4-6-13-12-9)10-7(1)3-5-11-10/h1-6H
InChIKeyZVEKCRUFEMQWNV-UHFFFAOYSA-N
MW186.24 g/mol
LogP2.84
Rot. Bonds

About pyrrolo[2,3-f][2,1]benzothiazine

pyrrolo[2,3-f][2,1]benzothiazine (PubChem CID 69499659) has the molecular formula C10H6N2S and a molecular weight of 186.24 g/mol. Its IUPAC name is pyrrolo[2,3-f][2,1]benzothiazine.

Molecular Properties

Compound Namepyrrolo[2,3-f][2,1]benzothiazine
PubChem CID69499659
Molecular FormulaC10H6N2S
Molecular Weight186.24 g/mol
Exact Mass186.03
IUPAC Namepyrrolo[2,3-f][2,1]benzothiazine
SMILESc1cc2ccc3nsccc3c2n1
InChIInChI=1S/C10H6N2S/c1-2-9-8(4-6-13-12-9)10-7(1)3-5-11-10/h1-6H
InChIKeyZVEKCRUFEMQWNV-UHFFFAOYSA-N
XLogP2.84
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyrrolo[2,3-f][2,1]benzothiazine?
The IUPAC name of pyrrolo[2,3-f][2,1]benzothiazine (CID 69499659) is pyrrolo[2,3-f][2,1]benzothiazine.
What is the SMILES notation for pyrrolo[2,3-f][2,1]benzothiazine?
The canonical SMILES for pyrrolo[2,3-f][2,1]benzothiazine is c1cc2ccc3nsccc3c2n1.
What is the InChIKey of pyrrolo[2,3-f][2,1]benzothiazine?
The InChIKey is ZVEKCRUFEMQWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2S/c1-2-9-8(4-6-13-12-9)10-7(1)3-5-11-10/h1-6H.
What are the key properties of pyrrolo[2,3-f][2,1]benzothiazine?
pyrrolo[2,3-f][2,1]benzothiazine has a molecular weight of 186.24 g/mol, XLogP of 2.84, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolo[2,3-f][2,1]benzothiazine is sourced from PubChem (CID 69499659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).