2,5-dichloro-2,3-dihydro-[1]benzofuro[2,3-g][1,3]benzothiazole

C13H7Cl2NOS — CID 167454354

IUPAC2,5-dichloro-2,3-dihydro-[1]benzofuro[2,3-g][1,3]benzothiazole
SMILESClc1cc2c(c3c1oc1ccccc13)SC(Cl)N2
InChIInChI=1S/C13H7Cl2NOS/c14-7-5-8-12(18-13(15)16-8)10-6-3-1-2-4-9(6)17-11(7)10/h1-5,13,16H
InChIKeyWOEFFARJWHDAPB-UHFFFAOYSA-N
MW296.18 g/mol
LogP5.28
Rot. Bonds

About 2,5-dichloro-2,3-dihydro-[1]benzofuro[2,3-g][1,3]benzothiazole

2,5-dichloro-2,3-dihydro-[1]benzofuro[2,3-g][1,3]benzothiazole (PubChem CID 167454354) has the molecular formula C13H7Cl2NOS and a molecular weight of 296.18 g/mol. Its IUPAC name is 2,5-dichloro-2,3-dihydro-[1]benzofuro[2,3-g][1,3]benzothiazole.

Molecular Properties

Compound Name2,5-dichloro-2,3-dihydro-[1]benzofuro[2,3-g][1,3]benzothiazole
PubChem CID167454354
Molecular FormulaC13H7Cl2NOS
Molecular Weight296.18 g/mol
Exact Mass294.96
IUPAC Name2,5-dichloro-2,3-dihydro-[1]benzofuro[2,3-g][1,3]benzothiazole
SMILESClc1cc2c(c3c1oc1ccccc13)SC(Cl)N2
InChIInChI=1S/C13H7Cl2NOS/c14-7-5-8-12(18-13(15)16-8)10-6-3-1-2-4-9(6)17-11(7)10/h1-5,13,16H
InChIKeyWOEFFARJWHDAPB-UHFFFAOYSA-N
XLogP5.28
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.18
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-2,3-dihydro-[1]benzofuro[2,3-g][1,3]benzothiazole?
The IUPAC name of 2,5-dichloro-2,3-dihydro-[1]benzofuro[2,3-g][1,3]benzothiazole (CID 167454354) is 2,5-dichloro-2,3-dihydro-[1]benzofuro[2,3-g][1,3]benzothiazole.
What is the SMILES notation for 2,5-dichloro-2,3-dihydro-[1]benzofuro[2,3-g][1,3]benzothiazole?
The canonical SMILES for 2,5-dichloro-2,3-dihydro-[1]benzofuro[2,3-g][1,3]benzothiazole is Clc1cc2c(c3c1oc1ccccc13)SC(Cl)N2.
What is the InChIKey of 2,5-dichloro-2,3-dihydro-[1]benzofuro[2,3-g][1,3]benzothiazole?
The InChIKey is WOEFFARJWHDAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2NOS/c14-7-5-8-12(18-13(15)16-8)10-6-3-1-2-4-9(6)17-11(7)10/h1-5,13,16H.
What are the key properties of 2,5-dichloro-2,3-dihydro-[1]benzofuro[2,3-g][1,3]benzothiazole?
2,5-dichloro-2,3-dihydro-[1]benzofuro[2,3-g][1,3]benzothiazole has a molecular weight of 296.18 g/mol, XLogP of 5.28, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-2,3-dihydro-[1]benzofuro[2,3-g][1,3]benzothiazole is sourced from PubChem (CID 167454354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).