6-(1,3-benzothiazol-6-yl)-[1]benzofuro[2,3-b]indole

C21H12N2OS — CID 121298649

IUPAC6-(1,3-benzothiazol-6-yl)-[1]benzofuro[2,3-b]indole
SMILESc1ccc2c(c1)oc1c2c2ccccc2n1-c1ccc2ncsc2c1
InChIInChI=1S/C21H12N2OS/c1-3-7-17-14(5-1)20-15-6-2-4-8-18(15)24-21(20)23(17)13-9-10-16-19(11-13)25-12-22-16/h1-12H
InChIKeyKIBCIVSVDZYLET-UHFFFAOYSA-N
MW340.41 g/mol
LogP6.14
Rot. Bonds1

About 6-(1,3-benzothiazol-6-yl)-[1]benzofuro[2,3-b]indole

6-(1,3-benzothiazol-6-yl)-[1]benzofuro[2,3-b]indole (PubChem CID 121298649) has the molecular formula C21H12N2OS and a molecular weight of 340.41 g/mol. Its IUPAC name is 6-(1,3-benzothiazol-6-yl)-[1]benzofuro[2,3-b]indole.

Molecular Properties

Compound Name6-(1,3-benzothiazol-6-yl)-[1]benzofuro[2,3-b]indole
PubChem CID121298649
Molecular FormulaC21H12N2OS
Molecular Weight340.41 g/mol
Exact Mass340.07
IUPAC Name6-(1,3-benzothiazol-6-yl)-[1]benzofuro[2,3-b]indole
SMILESc1ccc2c(c1)oc1c2c2ccccc2n1-c1ccc2ncsc2c1
InChIInChI=1S/C21H12N2OS/c1-3-7-17-14(5-1)20-15-6-2-4-8-18(15)24-21(20)23(17)13-9-10-16-19(11-13)25-12-22-16/h1-12H
InChIKeyKIBCIVSVDZYLET-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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Related Compounds

12-(1,3-benzothiazol-6-yl)-[1]benzofuro[3,2-a]carbazole
CID 118502690
6-(4-carbazol-9-ylphenyl)-[1]benzofuro[2,3-b]indole
CID 121298654
9-([1]benzofuro[2,3-b]indol-6-yl)-6-phenyl-[1]benzofuro[2,3-b]indole
CID 144751633
5-(1,3-benzothiazol-6-yl)-[1]benzothiolo[3,2-c]carbazole
CID 118503078
6-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-b]indole
CID 165168869
14-(1,3-benzothiazol-6-yl)-5-[3-[2-[4-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)phenyl]-6-phenylpyrimidin-4-yl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 155257350
CID 166569779
CID 166569779
6-[4-(9-phenylcarbazol-2-yl)phenyl]-[1]benzofuro[2,3-b]indole
CID 165168964
6-[4-[3-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[2,3-b]indole
CID 165168862
2-(7-carbazol-9-yldibenzothiophen-3-yl)-6-phenyl-[1]benzofuro[2,3-b]indole
CID 165168646
6-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-[1]benzofuro[2,3-b]indole
CID 165169108
9-bromo-6-phenyl-[1]benzofuro[2,3-b]indole
CID 90267791

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzothiazol-6-yl)-[1]benzofuro[2,3-b]indole?
The IUPAC name of 6-(1,3-benzothiazol-6-yl)-[1]benzofuro[2,3-b]indole (CID 121298649) is 6-(1,3-benzothiazol-6-yl)-[1]benzofuro[2,3-b]indole.
What is the SMILES notation for 6-(1,3-benzothiazol-6-yl)-[1]benzofuro[2,3-b]indole?
The canonical SMILES for 6-(1,3-benzothiazol-6-yl)-[1]benzofuro[2,3-b]indole is c1ccc2c(c1)oc1c2c2ccccc2n1-c1ccc2ncsc2c1.
What is the InChIKey of 6-(1,3-benzothiazol-6-yl)-[1]benzofuro[2,3-b]indole?
The InChIKey is KIBCIVSVDZYLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12N2OS/c1-3-7-17-14(5-1)20-15-6-2-4-8-18(15)24-21(20)23(17)13-9-10-16-19(11-13)25-12-22-16/h1-12H.
What are the key properties of 6-(1,3-benzothiazol-6-yl)-[1]benzofuro[2,3-b]indole?
6-(1,3-benzothiazol-6-yl)-[1]benzofuro[2,3-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 6-(1,3-benzothiazol-6-yl)-[1]benzofuro[2,3-b]indole is sourced from PubChem (CID 121298649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).