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

C14H14BrNO4S — CID 22682315

IUPAC2-[2-(5-bromo-2-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid
SMILESCCOc1c(OC)cc(Br)cc1-c1nc(CC(=O)O)cs1
InChIInChI=1S/C14H14BrNO4S/c1-3-20-13-10(4-8(15)5-11(13)19-2)14-16-9(7-21-14)6-12(17)18/h4-5,7H,3,6H2,1-2H3,(H,17,18)
InChIKeyWNXRKMPTQIAHQB-UHFFFAOYSA-N
MW372.24 g/mol
LogP3.61
Rot. Bonds6

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

2-[2-(5-bromo-2-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid (PubChem CID 22682315) has the molecular formula C14H14BrNO4S and a molecular weight of 372.24 g/mol. Its IUPAC name is 2-[2-(5-bromo-2-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(5-bromo-2-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid
PubChem CID22682315
Molecular FormulaC14H14BrNO4S
Molecular Weight372.24 g/mol
Exact Mass370.98
IUPAC Name2-[2-(5-bromo-2-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid
SMILESCCOc1c(OC)cc(Br)cc1-c1nc(CC(=O)O)cs1
InChIInChI=1S/C14H14BrNO4S/c1-3-20-13-10(4-8(15)5-11(13)19-2)14-16-9(7-21-14)6-12(17)18/h4-5,7H,3,6H2,1-2H3,(H,17,18)
InChIKeyWNXRKMPTQIAHQB-UHFFFAOYSA-N
XLogP3.61
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.24
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(3-bromo-5-chloro-2-ethoxyphenyl)-1,3-thiazol-4-yl]acetic acid
CID 20984834
2-[2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid
CID 20985054
2-[2-(3-bromo-4,5-dimethoxyphenyl)-1,3-thiazol-4-yl]acetic acid
CID 4980358
2-(5-bromo-2-ethoxy-3-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 22682123
2-[2-(3-bromo-4-ethoxy-5-methoxyphenyl)-1,3-thiazol-4-yl]acetate
CID 7745185
2-[2-(2,3,4-trimethoxyphenyl)-1,3-thiazol-4-yl]acetic acid
CID 43322559
2-[2-(2-chloro-3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetic acid
CID 63631665
2-(5-bromo-2-ethoxy-3-methoxyphenoxy)acetic acid
CID 121210363
2-(2-ethoxy-1,3-thiazol-4-yl)acetic acid
CID 83876777
ethyl 2-[2-(2-bromo-4-chloro-5-methoxyphenyl)-1,3-thiazol-4-yl]acetate
CID 134588772
3-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]propanoic acid
CID 119911824
2-[2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-1,3-thiazol-4-yl]acetic acid
CID 60708887

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-bromo-2-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-(5-bromo-2-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid (CID 22682315) is 2-[2-(5-bromo-2-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(5-bromo-2-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-(5-bromo-2-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid is CCOc1c(OC)cc(Br)cc1-c1nc(CC(=O)O)cs1.
What is the InChIKey of 2-[2-(5-bromo-2-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is WNXRKMPTQIAHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO4S/c1-3-20-13-10(4-8(15)5-11(13)19-2)14-16-9(7-21-14)6-12(17)18/h4-5,7H,3,6H2,1-2H3,(H,17,18).
What are the key properties of 2-[2-(5-bromo-2-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid?
2-[2-(5-bromo-2-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid has a molecular weight of 372.24 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-bromo-2-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 22682315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).