4,5-bis(1H-indol-3-yl)thiadiazole

C18H12N4S — CID 137133064

IUPAC4,5-bis(1H-indol-3-yl)thiadiazole
SMILESc1ccc2c(-c3nnsc3-c3c[nH]c4ccccc34)c[nH]c2c1
InChIInChI=1S/C18H12N4S/c1-3-7-15-11(5-1)13(9-19-15)17-18(23-22-21-17)14-10-20-16-8-4-2-6-12(14)16/h1-10,19-20H
InChIKeyLCOWYKOITHIZAQ-UHFFFAOYSA-N
MW316.39 g/mol
LogP4.83
Rot. Bonds2

About 4,5-bis(1H-indol-3-yl)thiadiazole

4,5-bis(1H-indol-3-yl)thiadiazole (PubChem CID 137133064) has the molecular formula C18H12N4S and a molecular weight of 316.39 g/mol. Its IUPAC name is 4,5-bis(1H-indol-3-yl)thiadiazole.

Molecular Properties

Compound Name4,5-bis(1H-indol-3-yl)thiadiazole
PubChem CID137133064
Molecular FormulaC18H12N4S
Molecular Weight316.39 g/mol
Exact Mass316.08
IUPAC Name4,5-bis(1H-indol-3-yl)thiadiazole
SMILESc1ccc2c(-c3nnsc3-c3c[nH]c4ccccc34)c[nH]c2c1
InChIInChI=1S/C18H12N4S/c1-3-7-15-11(5-1)13(9-19-15)17-18(23-22-21-17)14-10-20-16-8-4-2-6-12(14)16/h1-10,19-20H
InChIKeyLCOWYKOITHIZAQ-UHFFFAOYSA-N
XLogP4.83
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(1H-indol-3-yl)thiadiazole?
The IUPAC name of 4,5-bis(1H-indol-3-yl)thiadiazole (CID 137133064) is 4,5-bis(1H-indol-3-yl)thiadiazole.
What is the SMILES notation for 4,5-bis(1H-indol-3-yl)thiadiazole?
The canonical SMILES for 4,5-bis(1H-indol-3-yl)thiadiazole is c1ccc2c(-c3nnsc3-c3c[nH]c4ccccc34)c[nH]c2c1.
What is the InChIKey of 4,5-bis(1H-indol-3-yl)thiadiazole?
The InChIKey is LCOWYKOITHIZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4S/c1-3-7-15-11(5-1)13(9-19-15)17-18(23-22-21-17)14-10-20-16-8-4-2-6-12(14)16/h1-10,19-20H.
What are the key properties of 4,5-bis(1H-indol-3-yl)thiadiazole?
4,5-bis(1H-indol-3-yl)thiadiazole has a molecular weight of 316.39 g/mol, XLogP of 4.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(1H-indol-3-yl)thiadiazole is sourced from PubChem (CID 137133064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).