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

C8H5BrN2S2 — CID 61375697

IUPAC2-[(5-bromo-2-pyridinyl)sulfanyl]-1,3-thiazole
SMILESBrc1ccc(Sc2nccs2)nc1
InChIInChI=1S/C8H5BrN2S2/c9-6-1-2-7(11-5-6)13-8-10-3-4-12-8/h1-5H
InChIKeyUVQBMYOCXNWXML-UHFFFAOYSA-N
MW273.18 g/mol
LogP3.45
Rot. Bonds2

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

2-[(5-bromo-2-pyridinyl)sulfanyl]-1,3-thiazole (PubChem CID 61375697) has the molecular formula C8H5BrN2S2 and a molecular weight of 273.18 g/mol. Its IUPAC name is 2-[(5-bromo-2-pyridinyl)sulfanyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(5-bromo-2-pyridinyl)sulfanyl]-1,3-thiazole
PubChem CID61375697
Molecular FormulaC8H5BrN2S2
Molecular Weight273.18 g/mol
Exact Mass271.91
IUPAC Name2-[(5-bromo-2-pyridinyl)sulfanyl]-1,3-thiazole
SMILESBrc1ccc(Sc2nccs2)nc1
InChIInChI=1S/C8H5BrN2S2/c9-6-1-2-7(11-5-6)13-8-10-3-4-12-8/h1-5H
InChIKeyUVQBMYOCXNWXML-UHFFFAOYSA-N
XLogP3.45
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.18
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-pyridinyl)sulfanyl]-1,3-thiazole?
The IUPAC name of 2-[(5-bromo-2-pyridinyl)sulfanyl]-1,3-thiazole (CID 61375697) is 2-[(5-bromo-2-pyridinyl)sulfanyl]-1,3-thiazole.
What is the SMILES notation for 2-[(5-bromo-2-pyridinyl)sulfanyl]-1,3-thiazole?
The canonical SMILES for 2-[(5-bromo-2-pyridinyl)sulfanyl]-1,3-thiazole is Brc1ccc(Sc2nccs2)nc1.
What is the InChIKey of 2-[(5-bromo-2-pyridinyl)sulfanyl]-1,3-thiazole?
The InChIKey is UVQBMYOCXNWXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrN2S2/c9-6-1-2-7(11-5-6)13-8-10-3-4-12-8/h1-5H.
What are the key properties of 2-[(5-bromo-2-pyridinyl)sulfanyl]-1,3-thiazole?
2-[(5-bromo-2-pyridinyl)sulfanyl]-1,3-thiazole has a molecular weight of 273.18 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-pyridinyl)sulfanyl]-1,3-thiazole is sourced from PubChem (CID 61375697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).