5-bromo-2-[(3-methoxyphenoxy)methyl]-1,3-thiazole

C11H10BrNO2S — CID 117188254

IUPAC5-bromo-2-[(3-methoxyphenoxy)methyl]-1,3-thiazole
SMILESCOc1cccc(OCc2ncc(Br)s2)c1
InChIInChI=1S/C11H10BrNO2S/c1-14-8-3-2-4-9(5-8)15-7-11-13-6-10(12)16-11/h2-6H,7H2,1H3
InChIKeyOXYBMBSWKWPITD-UHFFFAOYSA-N
MW300.18 g/mol
LogP3.49
Rot. Bonds4

About 5-bromo-2-[(3-methoxyphenoxy)methyl]-1,3-thiazole

5-bromo-2-[(3-methoxyphenoxy)methyl]-1,3-thiazole (PubChem CID 117188254) has the molecular formula C11H10BrNO2S and a molecular weight of 300.18 g/mol. Its IUPAC name is 5-bromo-2-[(3-methoxyphenoxy)methyl]-1,3-thiazole.

Molecular Properties

Compound Name5-bromo-2-[(3-methoxyphenoxy)methyl]-1,3-thiazole
PubChem CID117188254
Molecular FormulaC11H10BrNO2S
Molecular Weight300.18 g/mol
Exact Mass298.96
IUPAC Name5-bromo-2-[(3-methoxyphenoxy)methyl]-1,3-thiazole
SMILESCOc1cccc(OCc2ncc(Br)s2)c1
InChIInChI=1S/C11H10BrNO2S/c1-14-8-3-2-4-9(5-8)15-7-11-13-6-10(12)16-11/h2-6H,7H2,1H3
InChIKeyOXYBMBSWKWPITD-UHFFFAOYSA-N
XLogP3.49
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.18
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-methoxyphenoxy)methyl]-5-methyl-1,3-thiazole
CID 117188251
[2-[(3-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanamine
CID 95461249
N-[[2-[(3-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methyl]butan-1-amine
CID 82423142
2-chloro-5-[(3-methoxyphenoxy)methyl]-1,3-thiazole
CID 79764226
5-bromo-2-[(3-methoxyphenoxy)methyl]-1-methylimidazole
CID 117188397
[4-(methoxymethyl)-2-[(3-methoxyphenoxy)methyl]-1,3-thiazol-5-yl]methanamine
CID 82440577
1-fluoro-4-[(3-methoxyphenoxy)methyl]benzene
CID 59165653
2-[2-[(3-bromophenoxy)methyl]-1,3-thiazol-5-yl]ethanamine
CID 94721332
2-[(3-methoxyphenoxy)methyl]-1,3-oxazole
CID 117186726
ethyl 2-[(3-methoxyphenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 53263563
5-ethyl-2-[(3-methoxyphenoxy)methyl]-1,3-thiazole-4-carboxylic acid
CID 117098878
1-but-2-ynoxy-3-methoxybenzene
CID 12759697

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(3-methoxyphenoxy)methyl]-1,3-thiazole?
The IUPAC name of 5-bromo-2-[(3-methoxyphenoxy)methyl]-1,3-thiazole (CID 117188254) is 5-bromo-2-[(3-methoxyphenoxy)methyl]-1,3-thiazole.
What is the SMILES notation for 5-bromo-2-[(3-methoxyphenoxy)methyl]-1,3-thiazole?
The canonical SMILES for 5-bromo-2-[(3-methoxyphenoxy)methyl]-1,3-thiazole is COc1cccc(OCc2ncc(Br)s2)c1.
What is the InChIKey of 5-bromo-2-[(3-methoxyphenoxy)methyl]-1,3-thiazole?
The InChIKey is OXYBMBSWKWPITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO2S/c1-14-8-3-2-4-9(5-8)15-7-11-13-6-10(12)16-11/h2-6H,7H2,1H3.
What are the key properties of 5-bromo-2-[(3-methoxyphenoxy)methyl]-1,3-thiazole?
5-bromo-2-[(3-methoxyphenoxy)methyl]-1,3-thiazole has a molecular weight of 300.18 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(3-methoxyphenoxy)methyl]-1,3-thiazole is sourced from PubChem (CID 117188254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).