2-[(5-bromo-3-pyridinyl)oxy]-4,5-dimethyl-1,3-thiazole

C10H9BrN2OS — CID 65169791

IUPAC2-[(5-bromo-3-pyridinyl)oxy]-4,5-dimethyl-1,3-thiazole
SMILESCc1nc(Oc2cncc(Br)c2)sc1C
InChIInChI=1S/C10H9BrN2OS/c1-6-7(2)15-10(13-6)14-9-3-8(11)4-12-5-9/h3-5H,1-2H3
InChIKeyRMVDMZZYDMBBBN-UHFFFAOYSA-N
MW285.17 g/mol
LogP3.71
Rot. Bonds2

About 2-[(5-bromo-3-pyridinyl)oxy]-4,5-dimethyl-1,3-thiazole

2-[(5-bromo-3-pyridinyl)oxy]-4,5-dimethyl-1,3-thiazole (PubChem CID 65169791) has the molecular formula C10H9BrN2OS and a molecular weight of 285.17 g/mol. Its IUPAC name is 2-[(5-bromo-3-pyridinyl)oxy]-4,5-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name2-[(5-bromo-3-pyridinyl)oxy]-4,5-dimethyl-1,3-thiazole
PubChem CID65169791
Molecular FormulaC10H9BrN2OS
Molecular Weight285.17 g/mol
Exact Mass283.96
IUPAC Name2-[(5-bromo-3-pyridinyl)oxy]-4,5-dimethyl-1,3-thiazole
SMILESCc1nc(Oc2cncc(Br)c2)sc1C
InChIInChI=1S/C10H9BrN2OS/c1-6-7(2)15-10(13-6)14-9-3-8(11)4-12-5-9/h3-5H,1-2H3
InChIKeyRMVDMZZYDMBBBN-UHFFFAOYSA-N
XLogP3.71
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.17
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-3-pyridinyl)oxy]-4,5-dimethyl-1,3-thiazole?
The IUPAC name of 2-[(5-bromo-3-pyridinyl)oxy]-4,5-dimethyl-1,3-thiazole (CID 65169791) is 2-[(5-bromo-3-pyridinyl)oxy]-4,5-dimethyl-1,3-thiazole.
What is the SMILES notation for 2-[(5-bromo-3-pyridinyl)oxy]-4,5-dimethyl-1,3-thiazole?
The canonical SMILES for 2-[(5-bromo-3-pyridinyl)oxy]-4,5-dimethyl-1,3-thiazole is Cc1nc(Oc2cncc(Br)c2)sc1C.
What is the InChIKey of 2-[(5-bromo-3-pyridinyl)oxy]-4,5-dimethyl-1,3-thiazole?
The InChIKey is RMVDMZZYDMBBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2OS/c1-6-7(2)15-10(13-6)14-9-3-8(11)4-12-5-9/h3-5H,1-2H3.
What are the key properties of 2-[(5-bromo-3-pyridinyl)oxy]-4,5-dimethyl-1,3-thiazole?
2-[(5-bromo-3-pyridinyl)oxy]-4,5-dimethyl-1,3-thiazole has a molecular weight of 285.17 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-3-pyridinyl)oxy]-4,5-dimethyl-1,3-thiazole is sourced from PubChem (CID 65169791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).