2-(5-bromo-2-methyl-4-pyridinyl)-4-methyl-1,3-thiazole

C10H9BrN2S — CID 68640621

IUPAC2-(5-bromo-2-methyl-4-pyridinyl)-4-methyl-1,3-thiazole
SMILESCc1cc(-c2nc(C)cs2)c(Br)cn1
InChIInChI=1S/C10H9BrN2S/c1-6-3-8(9(11)4-12-6)10-13-7(2)5-14-10/h3-5H,1-2H3
InChIKeyCHLUEXQAUSOMFF-UHFFFAOYSA-N
MW269.17 g/mol
LogP3.58
Rot. Bonds1

About 2-(5-bromo-2-methyl-4-pyridinyl)-4-methyl-1,3-thiazole

2-(5-bromo-2-methyl-4-pyridinyl)-4-methyl-1,3-thiazole (PubChem CID 68640621) has the molecular formula C10H9BrN2S and a molecular weight of 269.17 g/mol. Its IUPAC name is 2-(5-bromo-2-methyl-4-pyridinyl)-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-(5-bromo-2-methyl-4-pyridinyl)-4-methyl-1,3-thiazole
PubChem CID68640621
Molecular FormulaC10H9BrN2S
Molecular Weight269.17 g/mol
Exact Mass267.97
IUPAC Name2-(5-bromo-2-methyl-4-pyridinyl)-4-methyl-1,3-thiazole
SMILESCc1cc(-c2nc(C)cs2)c(Br)cn1
InChIInChI=1S/C10H9BrN2S/c1-6-3-8(9(11)4-12-6)10-13-7(2)5-14-10/h3-5H,1-2H3
InChIKeyCHLUEXQAUSOMFF-UHFFFAOYSA-N
XLogP3.58
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.17
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-methyl-4-pyridinyl)-4-methyl-1,3-thiazole?
The IUPAC name of 2-(5-bromo-2-methyl-4-pyridinyl)-4-methyl-1,3-thiazole (CID 68640621) is 2-(5-bromo-2-methyl-4-pyridinyl)-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-(5-bromo-2-methyl-4-pyridinyl)-4-methyl-1,3-thiazole?
The canonical SMILES for 2-(5-bromo-2-methyl-4-pyridinyl)-4-methyl-1,3-thiazole is Cc1cc(-c2nc(C)cs2)c(Br)cn1.
What is the InChIKey of 2-(5-bromo-2-methyl-4-pyridinyl)-4-methyl-1,3-thiazole?
The InChIKey is CHLUEXQAUSOMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2S/c1-6-3-8(9(11)4-12-6)10-13-7(2)5-14-10/h3-5H,1-2H3.
What are the key properties of 2-(5-bromo-2-methyl-4-pyridinyl)-4-methyl-1,3-thiazole?
2-(5-bromo-2-methyl-4-pyridinyl)-4-methyl-1,3-thiazole has a molecular weight of 269.17 g/mol, XLogP of 3.58, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-methyl-4-pyridinyl)-4-methyl-1,3-thiazole is sourced from PubChem (CID 68640621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).