2-[5-bromo-2-(2-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid

C12H10BrNO3S — CID 84608421

IUPAC2-[5-bromo-2-(2-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid
SMILESCOc1ccccc1-c1nc(CC(=O)O)c(Br)s1
InChIInChI=1S/C12H10BrNO3S/c1-17-9-5-3-2-4-7(9)12-14-8(6-10(15)16)11(13)18-12/h2-5H,6H2,1H3,(H,15,16)
InChIKeyDCDVUIRJVQIPPQ-UHFFFAOYSA-N
MW328.19 g/mol
LogP3.21
Rot. Bonds4

About 2-[5-bromo-2-(2-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid

2-[5-bromo-2-(2-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid (PubChem CID 84608421) has the molecular formula C12H10BrNO3S and a molecular weight of 328.19 g/mol. Its IUPAC name is 2-[5-bromo-2-(2-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[5-bromo-2-(2-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid
PubChem CID84608421
Molecular FormulaC12H10BrNO3S
Molecular Weight328.19 g/mol
Exact Mass326.96
IUPAC Name2-[5-bromo-2-(2-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid
SMILESCOc1ccccc1-c1nc(CC(=O)O)c(Br)s1
InChIInChI=1S/C12H10BrNO3S/c1-17-9-5-3-2-4-7(9)12-14-8(6-10(15)16)11(13)18-12/h2-5H,6H2,1H3,(H,15,16)
InChIKeyDCDVUIRJVQIPPQ-UHFFFAOYSA-N
XLogP3.21
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.19
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-bromo-2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetic acid
CID 70373613
2-[2-(2-methoxyphenyl)-4-phenyl-1,3-thiazol-5-yl]acetic acid
CID 154186079
2-(5-bromo-2-phenyl-1,3-thiazol-4-yl)acetic acid
CID 19800550
2-[5-bromo-2-(3-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid
CID 84608422
2-[5-bromo-2-(2,5-dimethylphenyl)-1,3-thiazol-4-yl]acetic acid
CID 84606694
methyl 2-(5-bromo-2-phenyl-1,3-thiazol-4-yl)acetate
CID 148550494
2-[4-(2-methoxyphenyl)-2-methyl-1,3-thiazol-5-yl]acetic acid
CID 39362994
2-[5-(2-methoxyphenyl)-4-methyl-1,3-thiazol-2-yl]acetic acid
CID 39362974
2-[4-(2-methoxyphenyl)-1,2,5-oxadiazol-3-yl]acetic acid
CID 82389837
(E)-3-[2-(2-methoxyphenyl)-4-propyl-1,3-thiazol-5-yl]prop-2-enoic acid
CID 82432592
5-acetyl-2-(2-methoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 106696093
[2-(2-methoxyphenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine
CID 64717924

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-2-(2-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[5-bromo-2-(2-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid (CID 84608421) is 2-[5-bromo-2-(2-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[5-bromo-2-(2-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[5-bromo-2-(2-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid is COc1ccccc1-c1nc(CC(=O)O)c(Br)s1.
What is the InChIKey of 2-[5-bromo-2-(2-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is DCDVUIRJVQIPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO3S/c1-17-9-5-3-2-4-7(9)12-14-8(6-10(15)16)11(13)18-12/h2-5H,6H2,1H3,(H,15,16).
What are the key properties of 2-[5-bromo-2-(2-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid?
2-[5-bromo-2-(2-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid has a molecular weight of 328.19 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-2-(2-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 84608421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).