2-bromo-5-(2-methoxy-3-pyridinyl)-1,3,4-thiadiazole

C8H6BrN3OS — CID 63383673

IUPAC2-bromo-5-(2-methoxy-3-pyridinyl)-1,3,4-thiadiazole
SMILESCOc1ncccc1-c1nnc(Br)s1
InChIInChI=1S/C8H6BrN3OS/c1-13-6-5(3-2-4-10-6)7-11-12-8(9)14-7/h2-4H,1H3
InChIKeyAHSOQHQZWSOBTN-UHFFFAOYSA-N
MW272.13 g/mol
LogP2.37
Rot. Bonds2

About 2-bromo-5-(2-methoxy-3-pyridinyl)-1,3,4-thiadiazole

2-bromo-5-(2-methoxy-3-pyridinyl)-1,3,4-thiadiazole (PubChem CID 63383673) has the molecular formula C8H6BrN3OS and a molecular weight of 272.13 g/mol. Its IUPAC name is 2-bromo-5-(2-methoxy-3-pyridinyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-bromo-5-(2-methoxy-3-pyridinyl)-1,3,4-thiadiazole
PubChem CID63383673
Molecular FormulaC8H6BrN3OS
Molecular Weight272.13 g/mol
Exact Mass270.94
IUPAC Name2-bromo-5-(2-methoxy-3-pyridinyl)-1,3,4-thiadiazole
SMILESCOc1ncccc1-c1nnc(Br)s1
InChIInChI=1S/C8H6BrN3OS/c1-13-6-5(3-2-4-10-6)7-11-12-8(9)14-7/h2-4H,1H3
InChIKeyAHSOQHQZWSOBTN-UHFFFAOYSA-N
XLogP2.37
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.13
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(2-methoxy-3-pyridinyl)-1,3,4-thiadiazole?
The IUPAC name of 2-bromo-5-(2-methoxy-3-pyridinyl)-1,3,4-thiadiazole (CID 63383673) is 2-bromo-5-(2-methoxy-3-pyridinyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-bromo-5-(2-methoxy-3-pyridinyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-bromo-5-(2-methoxy-3-pyridinyl)-1,3,4-thiadiazole is COc1ncccc1-c1nnc(Br)s1.
What is the InChIKey of 2-bromo-5-(2-methoxy-3-pyridinyl)-1,3,4-thiadiazole?
The InChIKey is AHSOQHQZWSOBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN3OS/c1-13-6-5(3-2-4-10-6)7-11-12-8(9)14-7/h2-4H,1H3.
What are the key properties of 2-bromo-5-(2-methoxy-3-pyridinyl)-1,3,4-thiadiazole?
2-bromo-5-(2-methoxy-3-pyridinyl)-1,3,4-thiadiazole has a molecular weight of 272.13 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(2-methoxy-3-pyridinyl)-1,3,4-thiadiazole is sourced from PubChem (CID 63383673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).