2-bromo-5-[(3-bromo-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole

C7H3Br2N3S2 — CID 64623517

IUPAC2-bromo-5-[(3-bromo-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole
SMILESBrc1nnc(Sc2ncccc2Br)s1
InChIInChI=1S/C7H3Br2N3S2/c8-4-2-1-3-10-5(4)13-7-12-11-6(9)14-7/h1-3H
InChIKeyWNIRETSKHMIJFU-UHFFFAOYSA-N
MW353.06 g/mol
LogP3.61
Rot. Bonds2

About 2-bromo-5-[(3-bromo-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole

2-bromo-5-[(3-bromo-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole (PubChem CID 64623517) has the molecular formula C7H3Br2N3S2 and a molecular weight of 353.06 g/mol. Its IUPAC name is 2-bromo-5-[(3-bromo-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-bromo-5-[(3-bromo-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole
PubChem CID64623517
Molecular FormulaC7H3Br2N3S2
Molecular Weight353.06 g/mol
Exact Mass350.81
IUPAC Name2-bromo-5-[(3-bromo-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole
SMILESBrc1nnc(Sc2ncccc2Br)s1
InChIInChI=1S/C7H3Br2N3S2/c8-4-2-1-3-10-5(4)13-7-12-11-6(9)14-7/h1-3H
InChIKeyWNIRETSKHMIJFU-UHFFFAOYSA-N
XLogP3.61
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.06
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[(3-bromo-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole?
The IUPAC name of 2-bromo-5-[(3-bromo-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole (CID 64623517) is 2-bromo-5-[(3-bromo-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-bromo-5-[(3-bromo-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole?
The canonical SMILES for 2-bromo-5-[(3-bromo-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole is Brc1nnc(Sc2ncccc2Br)s1.
What is the InChIKey of 2-bromo-5-[(3-bromo-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole?
The InChIKey is WNIRETSKHMIJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Br2N3S2/c8-4-2-1-3-10-5(4)13-7-12-11-6(9)14-7/h1-3H.
What are the key properties of 2-bromo-5-[(3-bromo-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole?
2-bromo-5-[(3-bromo-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole has a molecular weight of 353.06 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[(3-bromo-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole is sourced from PubChem (CID 64623517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).