2-(5-bromo-6-cyclopropyloxy-3-pyridinyl)-1,3-thiazole

C11H9BrN2OS — CID 146643289

IUPAC2-(5-bromo-6-cyclopropyloxy-3-pyridinyl)-1,3-thiazole
SMILESBrc1cc(-c2nccs2)cnc1OC1CC1
InChIInChI=1S/C11H9BrN2OS/c12-9-5-7(11-13-3-4-16-11)6-14-10(9)15-8-1-2-8/h3-6,8H,1-2H2
InChIKeyZAJKUZZVEAZTSY-UHFFFAOYSA-N
MW297.18 g/mol
LogP3.51
Rot. Bonds3

About 2-(5-bromo-6-cyclopropyloxy-3-pyridinyl)-1,3-thiazole

2-(5-bromo-6-cyclopropyloxy-3-pyridinyl)-1,3-thiazole (PubChem CID 146643289) has the molecular formula C11H9BrN2OS and a molecular weight of 297.18 g/mol. Its IUPAC name is 2-(5-bromo-6-cyclopropyloxy-3-pyridinyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(5-bromo-6-cyclopropyloxy-3-pyridinyl)-1,3-thiazole
PubChem CID146643289
Molecular FormulaC11H9BrN2OS
Molecular Weight297.18 g/mol
Exact Mass295.96
IUPAC Name2-(5-bromo-6-cyclopropyloxy-3-pyridinyl)-1,3-thiazole
SMILESBrc1cc(-c2nccs2)cnc1OC1CC1
InChIInChI=1S/C11H9BrN2OS/c12-9-5-7(11-13-3-4-16-11)6-14-10(9)15-8-1-2-8/h3-6,8H,1-2H2
InChIKeyZAJKUZZVEAZTSY-UHFFFAOYSA-N
XLogP3.51
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.18
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-6-cyclopropyloxy-3-pyridinyl)-1,3-thiazole?
The IUPAC name of 2-(5-bromo-6-cyclopropyloxy-3-pyridinyl)-1,3-thiazole (CID 146643289) is 2-(5-bromo-6-cyclopropyloxy-3-pyridinyl)-1,3-thiazole.
What is the SMILES notation for 2-(5-bromo-6-cyclopropyloxy-3-pyridinyl)-1,3-thiazole?
The canonical SMILES for 2-(5-bromo-6-cyclopropyloxy-3-pyridinyl)-1,3-thiazole is Brc1cc(-c2nccs2)cnc1OC1CC1.
What is the InChIKey of 2-(5-bromo-6-cyclopropyloxy-3-pyridinyl)-1,3-thiazole?
The InChIKey is ZAJKUZZVEAZTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2OS/c12-9-5-7(11-13-3-4-16-11)6-14-10(9)15-8-1-2-8/h3-6,8H,1-2H2.
What are the key properties of 2-(5-bromo-6-cyclopropyloxy-3-pyridinyl)-1,3-thiazole?
2-(5-bromo-6-cyclopropyloxy-3-pyridinyl)-1,3-thiazole has a molecular weight of 297.18 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-6-cyclopropyloxy-3-pyridinyl)-1,3-thiazole is sourced from PubChem (CID 146643289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).