10-(1,3-benzothiazol-2-yl)-[1]benzofuro[3,2-b]indole

C21H12N2OS — CID 121298620

IUPAC10-(1,3-benzothiazol-2-yl)-[1]benzofuro[3,2-b]indole
SMILESc1ccc2sc(-n3c4ccccc4c4oc5ccccc5c43)nc2c1
InChIInChI=1S/C21H12N2OS/c1-4-10-16-13(7-1)20-19(14-8-2-5-11-17(14)24-20)23(16)21-22-15-9-3-6-12-18(15)25-21/h1-12H
InChIKeyBQIMIGJUNJEOBM-UHFFFAOYSA-N
MW340.41 g/mol
LogP6.14
Rot. Bonds1

About 10-(1,3-benzothiazol-2-yl)-[1]benzofuro[3,2-b]indole

10-(1,3-benzothiazol-2-yl)-[1]benzofuro[3,2-b]indole (PubChem CID 121298620) has the molecular formula C21H12N2OS and a molecular weight of 340.41 g/mol. Its IUPAC name is 10-(1,3-benzothiazol-2-yl)-[1]benzofuro[3,2-b]indole.

Molecular Properties

Compound Name10-(1,3-benzothiazol-2-yl)-[1]benzofuro[3,2-b]indole
PubChem CID121298620
Molecular FormulaC21H12N2OS
Molecular Weight340.41 g/mol
Exact Mass340.07
IUPAC Name10-(1,3-benzothiazol-2-yl)-[1]benzofuro[3,2-b]indole
SMILESc1ccc2sc(-n3c4ccccc4c4oc5ccccc5c43)nc2c1
InChIInChI=1S/C21H12N2OS/c1-4-10-16-13(7-1)20-19(14-8-2-5-11-17(14)24-20)23(16)21-22-15-9-3-6-12-18(15)25-21/h1-12H
InChIKeyBQIMIGJUNJEOBM-UHFFFAOYSA-N
XLogP6.14
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.41
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-(1,3-benzothiazol-2-yl)-[1]benzofuro[3,2-b]indole?
The IUPAC name of 10-(1,3-benzothiazol-2-yl)-[1]benzofuro[3,2-b]indole (CID 121298620) is 10-(1,3-benzothiazol-2-yl)-[1]benzofuro[3,2-b]indole.
What is the SMILES notation for 10-(1,3-benzothiazol-2-yl)-[1]benzofuro[3,2-b]indole?
The canonical SMILES for 10-(1,3-benzothiazol-2-yl)-[1]benzofuro[3,2-b]indole is c1ccc2sc(-n3c4ccccc4c4oc5ccccc5c43)nc2c1.
What is the InChIKey of 10-(1,3-benzothiazol-2-yl)-[1]benzofuro[3,2-b]indole?
The InChIKey is BQIMIGJUNJEOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12N2OS/c1-4-10-16-13(7-1)20-19(14-8-2-5-11-17(14)24-20)23(16)21-22-15-9-3-6-12-18(15)25-21/h1-12H.
What are the key properties of 10-(1,3-benzothiazol-2-yl)-[1]benzofuro[3,2-b]indole?
10-(1,3-benzothiazol-2-yl)-[1]benzofuro[3,2-b]indole has a molecular weight of 340.41 g/mol, XLogP of 6.14, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(1,3-benzothiazol-2-yl)-[1]benzofuro[3,2-b]indole is sourced from PubChem (CID 121298620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).