2-[2-(4-methoxyphenoxy)acetyl]-1,3-thiazole-4-carboxylate

C13H10NO5S- — CID 9159295

IUPAC2-[2-(4-methoxyphenoxy)acetyl]-1,3-thiazole-4-carboxylate
SMILESCOc1ccc(OCC(=O)c2nc(C(=O)[O-])cs2)cc1
InChIInChI=1S/C13H11NO5S/c1-18-8-2-4-9(5-3-8)19-6-11(15)12-14-10(7-20-12)13(16)17/h2-5,7H,6H2,1H3,(H,16,17)/p-1
InChIKeySSEBEVDLJPCOJP-UHFFFAOYSA-M
MW292.29 g/mol
LogP0.78
Rot. Bonds6

About 2-[2-(4-methoxyphenoxy)acetyl]-1,3-thiazole-4-carboxylate

2-[2-(4-methoxyphenoxy)acetyl]-1,3-thiazole-4-carboxylate (PubChem CID 9159295) has the molecular formula C13H10NO5S- and a molecular weight of 292.29 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenoxy)acetyl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name2-[2-(4-methoxyphenoxy)acetyl]-1,3-thiazole-4-carboxylate
PubChem CID9159295
Molecular FormulaC13H10NO5S-
Molecular Weight292.29 g/mol
Exact Mass292.03
IUPAC Name2-[2-(4-methoxyphenoxy)acetyl]-1,3-thiazole-4-carboxylate
SMILESCOc1ccc(OCC(=O)c2nc(C(=O)[O-])cs2)cc1
InChIInChI=1S/C13H11NO5S/c1-18-8-2-4-9(5-3-8)19-6-11(15)12-14-10(7-20-12)13(16)17/h2-5,7H,6H2,1H3,(H,16,17)/p-1
InChIKeySSEBEVDLJPCOJP-UHFFFAOYSA-M
XLogP0.78
TPSA88.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-(4-methylphenoxy)acetyl]-1,3-thiazole-4-carboxylate
CID 9159253
2-[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]-1,3-thiazole-4-carboxylate
CID 9159385
2-[2-(4-chlorophenoxy)acetyl]-1,3-thiazole-4-carboxylic acid
CID 9159452
2-[2-(2-propan-2-ylphenoxy)acetyl]-1,3-thiazole-4-carboxylate
CID 9159320
2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 6933840
methyl 2-[2-[4-(hexoxymethyl)phenoxy]acetyl]-1,3-thiazole-4-carboxylate
CID 118860408
2-[2-[2-(3,4-dimethylphenoxy)acetyl]-1,3-thiazol-4-yl]acetate
CID 9159506
2-[2-[2-(2-tert-butyl-4-methoxyphenoxy)acetyl]-1,3-thiazol-4-yl]acetate
CID 9159606
1-(4-bromo-1,3-thiazol-2-yl)-3-(4-methoxyphenyl)propane-1,3-dione
CID 138857531
1-(4-methoxyphenoxy)butane-2,3-dione
CID 69127399
2-[2-[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]-1,3-thiazol-4-yl]acetate
CID 9159564
2-(4-methoxyphenoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 23612988

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenoxy)acetyl]-1,3-thiazole-4-carboxylate?
The IUPAC name of 2-[2-(4-methoxyphenoxy)acetyl]-1,3-thiazole-4-carboxylate (CID 9159295) is 2-[2-(4-methoxyphenoxy)acetyl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for 2-[2-(4-methoxyphenoxy)acetyl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for 2-[2-(4-methoxyphenoxy)acetyl]-1,3-thiazole-4-carboxylate is COc1ccc(OCC(=O)c2nc(C(=O)[O-])cs2)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenoxy)acetyl]-1,3-thiazole-4-carboxylate?
The InChIKey is SSEBEVDLJPCOJP-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H11NO5S/c1-18-8-2-4-9(5-3-8)19-6-11(15)12-14-10(7-20-12)13(16)17/h2-5,7H,6H2,1H3,(H,16,17)/p-1.
What are the key properties of 2-[2-(4-methoxyphenoxy)acetyl]-1,3-thiazole-4-carboxylate?
2-[2-(4-methoxyphenoxy)acetyl]-1,3-thiazole-4-carboxylate has a molecular weight of 292.29 g/mol, XLogP of 0.78, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenoxy)acetyl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 9159295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).