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

C14H13BrNO4S- — CID 7745185

IUPAC2-[2-(3-bromo-4-ethoxy-5-methoxyphenyl)-1,3-thiazol-4-yl]acetate
SMILESCCOc1c(Br)cc(-c2nc(CC(=O)[O-])cs2)cc1OC
InChIInChI=1S/C14H14BrNO4S/c1-3-20-13-10(15)4-8(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)/p-1
InChIKeyIHXPCVJOFDKIIL-UHFFFAOYSA-M
MW371.23 g/mol
LogP2.27
Rot. Bonds6

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

2-[2-(3-bromo-4-ethoxy-5-methoxyphenyl)-1,3-thiazol-4-yl]acetate (PubChem CID 7745185) has the molecular formula C14H13BrNO4S- and a molecular weight of 371.23 g/mol. Its IUPAC name is 2-[2-(3-bromo-4-ethoxy-5-methoxyphenyl)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Name2-[2-(3-bromo-4-ethoxy-5-methoxyphenyl)-1,3-thiazol-4-yl]acetate
PubChem CID7745185
Molecular FormulaC14H13BrNO4S-
Molecular Weight371.23 g/mol
Exact Mass369.98
IUPAC Name2-[2-(3-bromo-4-ethoxy-5-methoxyphenyl)-1,3-thiazol-4-yl]acetate
SMILESCCOc1c(Br)cc(-c2nc(CC(=O)[O-])cs2)cc1OC
InChIInChI=1S/C14H14BrNO4S/c1-3-20-13-10(15)4-8(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)/p-1
InChIKeyIHXPCVJOFDKIIL-UHFFFAOYSA-M
XLogP2.27
TPSA71.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.23
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(3-bromo-4,5-dimethoxyphenyl)-1,3-thiazol-4-yl]acetic acid
CID 4980358
2-[2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid
CID 20985054
2-[2-(5-bromo-2-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid
CID 22682315
2-(3-bromo-5-methoxy-4-propoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 20990594
methyl 3-[2-(3-bromo-4-hydroxy-5-methoxyphenyl)-1,3-thiazol-4-yl]propanoate
CID 136871140
2-[2-(3-bromo-5-chloro-2-ethoxyphenyl)-1,3-thiazol-4-yl]acetic acid
CID 20984834
N'-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]-4-ethoxy-3-methoxybenzohydrazide
CID 55454356
[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 4-ethoxy-3-methoxybenzoate
CID 16516068
2-(3-bromo-5-methoxy-4-propoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 7745239
ethyl 2-[2-(2-bromo-4-chloro-5-methoxyphenyl)-1,3-thiazol-4-yl]acetate
CID 134588772
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-ethyl-N-(4-fluorophenyl)acetamide
CID 55382597
2-(3-bromo-5-methoxy-4-pentoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 7745237

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-bromo-4-ethoxy-5-methoxyphenyl)-1,3-thiazol-4-yl]acetate?
The IUPAC name of 2-[2-(3-bromo-4-ethoxy-5-methoxyphenyl)-1,3-thiazol-4-yl]acetate (CID 7745185) is 2-[2-(3-bromo-4-ethoxy-5-methoxyphenyl)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for 2-[2-(3-bromo-4-ethoxy-5-methoxyphenyl)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for 2-[2-(3-bromo-4-ethoxy-5-methoxyphenyl)-1,3-thiazol-4-yl]acetate is CCOc1c(Br)cc(-c2nc(CC(=O)[O-])cs2)cc1OC.
What is the InChIKey of 2-[2-(3-bromo-4-ethoxy-5-methoxyphenyl)-1,3-thiazol-4-yl]acetate?
The InChIKey is IHXPCVJOFDKIIL-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H14BrNO4S/c1-3-20-13-10(15)4-8(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)/p-1.
What are the key properties of 2-[2-(3-bromo-4-ethoxy-5-methoxyphenyl)-1,3-thiazol-4-yl]acetate?
2-[2-(3-bromo-4-ethoxy-5-methoxyphenyl)-1,3-thiazol-4-yl]acetate has a molecular weight of 371.23 g/mol, XLogP of 2.27, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-bromo-4-ethoxy-5-methoxyphenyl)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 7745185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).