5,6-bis(1H-indol-2-yl)-2,1,3-benzothiadiazole

C22H14N4S — CID 132521621

IUPAC5,6-bis(1H-indol-2-yl)-2,1,3-benzothiadiazole
SMILESc1ccc2[nH]c(-c3cc4nsnc4cc3-c3cc4ccccc4[nH]3)cc2c1
InChIInChI=1S/C22H14N4S/c1-3-7-17-13(5-1)9-19(23-17)15-11-21-22(26-27-25-21)12-16(15)20-10-14-6-2-4-8-18(14)24-20/h1-12,23-24H
InChIKeyDPQWVCVHVVXHGV-UHFFFAOYSA-N
MW366.45 g/mol
LogP5.99
Rot. Bonds2

About 5,6-bis(1H-indol-2-yl)-2,1,3-benzothiadiazole

5,6-bis(1H-indol-2-yl)-2,1,3-benzothiadiazole (PubChem CID 132521621) has the molecular formula C22H14N4S and a molecular weight of 366.45 g/mol. Its IUPAC name is 5,6-bis(1H-indol-2-yl)-2,1,3-benzothiadiazole.

Molecular Properties

Compound Name5,6-bis(1H-indol-2-yl)-2,1,3-benzothiadiazole
PubChem CID132521621
Molecular FormulaC22H14N4S
Molecular Weight366.45 g/mol
Exact Mass366.09
IUPAC Name5,6-bis(1H-indol-2-yl)-2,1,3-benzothiadiazole
SMILESc1ccc2[nH]c(-c3cc4nsnc4cc3-c3cc4ccccc4[nH]3)cc2c1
InChIInChI=1S/C22H14N4S/c1-3-7-17-13(5-1)9-19(23-17)15-11-21-22(26-27-25-21)12-16(15)20-10-14-6-2-4-8-18(14)24-20/h1-12,23-24H
InChIKeyDPQWVCVHVVXHGV-UHFFFAOYSA-N
XLogP5.99
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.45
LogP ≤ 55.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 86101824
2-(2-iodophenyl)-1H-indole
CID 12996175
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CID 137250152
2-[5-(1H-indol-2-yl)thiophen-2-yl]-1H-indole
CID 141030381
2-(1H-indol-2-yl)quinazoline
CID 68890263
2-(1H-indol-2-yl)phenol;sulfuric acid
CID 155109187
2-(1H-indol-2-yl)-1H-pyrrolo[3,2-b]pyridine
CID 156702024
2,4-dichloro-6-(1H-indol-2-yl)phenol
CID 142650101
2,5-bis(1H-indol-2-yl)phenol
CID 67739555
[2-(1H-indol-2-yl)phenyl]methanamine
CID 142707803
N-[2-(1H-indol-2-yl)phenyl]ethanesulfonamide
CID 3687205
2-(2,5-dimethoxyphenyl)-1H-indole
CID 4714964

Frequently Asked Questions

What is the IUPAC name of 5,6-bis(1H-indol-2-yl)-2,1,3-benzothiadiazole?
The IUPAC name of 5,6-bis(1H-indol-2-yl)-2,1,3-benzothiadiazole (CID 132521621) is 5,6-bis(1H-indol-2-yl)-2,1,3-benzothiadiazole.
What is the SMILES notation for 5,6-bis(1H-indol-2-yl)-2,1,3-benzothiadiazole?
The canonical SMILES for 5,6-bis(1H-indol-2-yl)-2,1,3-benzothiadiazole is c1ccc2[nH]c(-c3cc4nsnc4cc3-c3cc4ccccc4[nH]3)cc2c1.
What is the InChIKey of 5,6-bis(1H-indol-2-yl)-2,1,3-benzothiadiazole?
The InChIKey is DPQWVCVHVVXHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N4S/c1-3-7-17-13(5-1)9-19(23-17)15-11-21-22(26-27-25-21)12-16(15)20-10-14-6-2-4-8-18(14)24-20/h1-12,23-24H.
What are the key properties of 5,6-bis(1H-indol-2-yl)-2,1,3-benzothiadiazole?
5,6-bis(1H-indol-2-yl)-2,1,3-benzothiadiazole has a molecular weight of 366.45 g/mol, XLogP of 5.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(1H-indol-2-yl)-2,1,3-benzothiadiazole is sourced from PubChem (CID 132521621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).