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

C11H11BrN2OS — CID 61373558

IUPAC5-[2-[(3-bromo-2-pyridinyl)oxy]ethyl]-4-methyl-1,3-thiazole
SMILESCc1ncsc1CCOc1ncccc1Br
InChIInChI=1S/C11H11BrN2OS/c1-8-10(16-7-14-8)4-6-15-11-9(12)3-2-5-13-11/h2-3,5,7H,4,6H2,1H3
InChIKeyYCBPEXIIHNVKJV-UHFFFAOYSA-N
MW299.19 g/mol
LogP3.23
Rot. Bonds4

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

5-[2-[(3-bromo-2-pyridinyl)oxy]ethyl]-4-methyl-1,3-thiazole (PubChem CID 61373558) has the molecular formula C11H11BrN2OS and a molecular weight of 299.19 g/mol. Its IUPAC name is 5-[2-[(3-bromo-2-pyridinyl)oxy]ethyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-[2-[(3-bromo-2-pyridinyl)oxy]ethyl]-4-methyl-1,3-thiazole
PubChem CID61373558
Molecular FormulaC11H11BrN2OS
Molecular Weight299.19 g/mol
Exact Mass297.98
IUPAC Name5-[2-[(3-bromo-2-pyridinyl)oxy]ethyl]-4-methyl-1,3-thiazole
SMILESCc1ncsc1CCOc1ncccc1Br
InChIInChI=1S/C11H11BrN2OS/c1-8-10(16-7-14-8)4-6-15-11-9(12)3-2-5-13-11/h2-3,5,7H,4,6H2,1H3
InChIKeyYCBPEXIIHNVKJV-UHFFFAOYSA-N
XLogP3.23
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.19
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-1H-pyrazin-2-one
CID 103240598
O-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]hydroxylamine
CID 11228942
2-[(3-bromo-2-pyridinyl)oxy]ethanol
CID 58241926
3-[3-bromo-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]prop-2-enoic acid
CID 76933375
2-bromo-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzaldehyde
CID 81497170
[1-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]isoquinolin-4-yl]methanamine
CID 106777282
5-methyl-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridin-3-amine
CID 62475742
3-[(3-bromo-2-pyridinyl)oxy]propan-1-ol
CID 61375068
(1S)-1-[3-bromo-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanamine
CID 63370489
4-methyl-5-[2-[6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]hexoxy]ethyl]-1,3-thiazole
CID 11474127
5-bromo-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzenesulfonamide
CID 82915384
5-[2-(2,5-dimethylphenoxy)ethyl]-4-methyl-1,3-thiazole
CID 79502670

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(3-bromo-2-pyridinyl)oxy]ethyl]-4-methyl-1,3-thiazole?
The IUPAC name of 5-[2-[(3-bromo-2-pyridinyl)oxy]ethyl]-4-methyl-1,3-thiazole (CID 61373558) is 5-[2-[(3-bromo-2-pyridinyl)oxy]ethyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 5-[2-[(3-bromo-2-pyridinyl)oxy]ethyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 5-[2-[(3-bromo-2-pyridinyl)oxy]ethyl]-4-methyl-1,3-thiazole is Cc1ncsc1CCOc1ncccc1Br.
What is the InChIKey of 5-[2-[(3-bromo-2-pyridinyl)oxy]ethyl]-4-methyl-1,3-thiazole?
The InChIKey is YCBPEXIIHNVKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2OS/c1-8-10(16-7-14-8)4-6-15-11-9(12)3-2-5-13-11/h2-3,5,7H,4,6H2,1H3.
What are the key properties of 5-[2-[(3-bromo-2-pyridinyl)oxy]ethyl]-4-methyl-1,3-thiazole?
5-[2-[(3-bromo-2-pyridinyl)oxy]ethyl]-4-methyl-1,3-thiazole has a molecular weight of 299.19 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(3-bromo-2-pyridinyl)oxy]ethyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 61373558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).