[1]benzofuro[2,3-e][1,3]benzothiazole

C13H7NOS — CID 45077473

IUPAC[1]benzofuro[2,3-e][1,3]benzothiazole
SMILESc1ccc2c(c1)oc1c2ccc2scnc21
InChIInChI=1S/C13H7NOS/c1-2-4-10-8(3-1)9-5-6-11-12(13(9)15-10)14-7-16-11/h1-7H
InChIKeyVUQCQHJTFKOAIZ-UHFFFAOYSA-N
MW225.27 g/mol
LogP4.20
Rot. Bonds

About [1]benzofuro[2,3-e][1,3]benzothiazole

[1]benzofuro[2,3-e][1,3]benzothiazole (PubChem CID 45077473) has the molecular formula C13H7NOS and a molecular weight of 225.27 g/mol. Its IUPAC name is [1]benzofuro[2,3-e][1,3]benzothiazole.

Molecular Properties

Compound Name[1]benzofuro[2,3-e][1,3]benzothiazole
PubChem CID45077473
Molecular FormulaC13H7NOS
Molecular Weight225.27 g/mol
Exact Mass225.02
IUPAC Name[1]benzofuro[2,3-e][1,3]benzothiazole
SMILESc1ccc2c(c1)oc1c2ccc2scnc21
InChIInChI=1S/C13H7NOS/c1-2-4-10-8(3-1)9-5-6-11-12(13(9)15-10)14-7-16-11/h1-7H
InChIKeyVUQCQHJTFKOAIZ-UHFFFAOYSA-N
XLogP4.20
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-1,3-benzothiazole
CID 171756603
3-oxa-12-azapentacyclo[11.8.0.02,10.04,9.014,19]henicosa-1,4,6,8,10,12,14,16,18,20-decaene
CID 14690181
4-bromodibenzofuran-3-amine
CID 142749742
dibenzofuran-4-yl(trimethyl)silane
CID 10752569
2-(3-methyldibenzofuran-4-yl)pyridine
CID 118074682
5-(4-bromophenyl)-[1]benzofuro[3,2-c]isoquinoline
CID 155018942
dibenzofuran;hydrofluoride
CID 158307405
dibenzofuran;hydrate
CID 70610865
2-dibenzofuran-4-ylpyridine
CID 59500175
3-bromophenanthro[1,2-b][1]benzofuran
CID 132507376
4-([1]benzofuro[3,2-b]pyridin-4-yl)-[1]benzofuro[3,2-b]pyridine
CID 142281054
1-phenyl-2-(10-phenylanthracen-9-yl)-[1]benzothiolo[4,5-b][1]benzofuran
CID 176743096

Frequently Asked Questions

What is the IUPAC name of [1]benzofuro[2,3-e][1,3]benzothiazole?
The IUPAC name of [1]benzofuro[2,3-e][1,3]benzothiazole (CID 45077473) is [1]benzofuro[2,3-e][1,3]benzothiazole.
What is the SMILES notation for [1]benzofuro[2,3-e][1,3]benzothiazole?
The canonical SMILES for [1]benzofuro[2,3-e][1,3]benzothiazole is c1ccc2c(c1)oc1c2ccc2scnc21.
What is the InChIKey of [1]benzofuro[2,3-e][1,3]benzothiazole?
The InChIKey is VUQCQHJTFKOAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7NOS/c1-2-4-10-8(3-1)9-5-6-11-12(13(9)15-10)14-7-16-11/h1-7H.
What are the key properties of [1]benzofuro[2,3-e][1,3]benzothiazole?
[1]benzofuro[2,3-e][1,3]benzothiazole has a molecular weight of 225.27 g/mol, XLogP of 4.20, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1]benzofuro[2,3-e][1,3]benzothiazole is sourced from PubChem (CID 45077473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).