2-bromo-5-pyridin-3-yl-1,3,4-thiadiazole

C7H4BrN3S — CID 42281993

IUPAC2-bromo-5-pyridin-3-yl-1,3,4-thiadiazole
SMILESBrc1nnc(-c2cccnc2)s1
InChIInChI=1S/C7H4BrN3S/c8-7-11-10-6(12-7)5-2-1-3-9-4-5/h1-4H
InChIKeyLEJKMPAVMFZPNR-UHFFFAOYSA-N
MW242.10 g/mol
LogP2.36
Rot. Bonds1

About 2-bromo-5-pyridin-3-yl-1,3,4-thiadiazole

2-bromo-5-pyridin-3-yl-1,3,4-thiadiazole (PubChem CID 42281993) has the molecular formula C7H4BrN3S and a molecular weight of 242.10 g/mol. Its IUPAC name is 2-bromo-5-pyridin-3-yl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-bromo-5-pyridin-3-yl-1,3,4-thiadiazole
PubChem CID42281993
Molecular FormulaC7H4BrN3S
Molecular Weight242.10 g/mol
Exact Mass240.93
IUPAC Name2-bromo-5-pyridin-3-yl-1,3,4-thiadiazole
SMILESBrc1nnc(-c2cccnc2)s1
InChIInChI=1S/C7H4BrN3S/c8-7-11-10-6(12-7)5-2-1-3-9-4-5/h1-4H
InChIKeyLEJKMPAVMFZPNR-UHFFFAOYSA-N
XLogP2.36
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.10
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-pyridin-3-yl-1,3,4-thiadiazole?
The IUPAC name of 2-bromo-5-pyridin-3-yl-1,3,4-thiadiazole (CID 42281993) is 2-bromo-5-pyridin-3-yl-1,3,4-thiadiazole.
What is the SMILES notation for 2-bromo-5-pyridin-3-yl-1,3,4-thiadiazole?
The canonical SMILES for 2-bromo-5-pyridin-3-yl-1,3,4-thiadiazole is Brc1nnc(-c2cccnc2)s1.
What is the InChIKey of 2-bromo-5-pyridin-3-yl-1,3,4-thiadiazole?
The InChIKey is LEJKMPAVMFZPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrN3S/c8-7-11-10-6(12-7)5-2-1-3-9-4-5/h1-4H.
What are the key properties of 2-bromo-5-pyridin-3-yl-1,3,4-thiadiazole?
2-bromo-5-pyridin-3-yl-1,3,4-thiadiazole has a molecular weight of 242.10 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-pyridin-3-yl-1,3,4-thiadiazole is sourced from PubChem (CID 42281993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).