6-(2-bromo-1,3-thiazol-4-yl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C11H5BrN6S2 — CID 52900621

IUPAC6-(2-bromo-1,3-thiazol-4-yl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESBrc1nc(-c2nn3c(-c4ccccn4)nnc3s2)cs1
InChIInChI=1S/C11H5BrN6S2/c12-10-14-7(5-19-10)9-17-18-8(15-16-11(18)20-9)6-3-1-2-4-13-6/h1-5H
InChIKeyLMQSVPGVBIFAHD-UHFFFAOYSA-N
MW365.24 g/mol
LogP3.13
Rot. Bonds2

About 6-(2-bromo-1,3-thiazol-4-yl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

6-(2-bromo-1,3-thiazol-4-yl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 52900621) has the molecular formula C11H5BrN6S2 and a molecular weight of 365.24 g/mol. Its IUPAC name is 6-(2-bromo-1,3-thiazol-4-yl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(2-bromo-1,3-thiazol-4-yl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID52900621
Molecular FormulaC11H5BrN6S2
Molecular Weight365.24 g/mol
Exact Mass363.92
IUPAC Name6-(2-bromo-1,3-thiazol-4-yl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESBrc1nc(-c2nn3c(-c4ccccn4)nnc3s2)cs1
InChIInChI=1S/C11H5BrN6S2/c12-10-14-7(5-19-10)9-17-18-8(15-16-11(18)20-9)6-3-1-2-4-13-6/h1-5H
InChIKeyLMQSVPGVBIFAHD-UHFFFAOYSA-N
XLogP3.13
TPSA68.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.24
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(2-bromo-1,3-thiazol-4-yl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 6-(2-bromo-1,3-thiazol-4-yl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 52900621) is 6-(2-bromo-1,3-thiazol-4-yl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(2-bromo-1,3-thiazol-4-yl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(2-bromo-1,3-thiazol-4-yl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is Brc1nc(-c2nn3c(-c4ccccn4)nnc3s2)cs1.
What is the InChIKey of 6-(2-bromo-1,3-thiazol-4-yl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is LMQSVPGVBIFAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrN6S2/c12-10-14-7(5-19-10)9-17-18-8(15-16-11(18)20-9)6-3-1-2-4-13-6/h1-5H.
What are the key properties of 6-(2-bromo-1,3-thiazol-4-yl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
6-(2-bromo-1,3-thiazol-4-yl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 365.24 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromo-1,3-thiazol-4-yl)-3-pyridin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 52900621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).