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

C14H15NO3S — CID 25247878

IUPACethyl 2-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetate
SMILESCCOC(=O)Cc1cnc(-c2ccc(OC)cc2)s1
InChIInChI=1S/C14H15NO3S/c1-3-18-13(16)8-12-9-15-14(19-12)10-4-6-11(17-2)7-5-10/h4-7,9H,3,8H2,1-2H3
InChIKeyQQTPTPPOZXLLNT-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.92
Rot. Bonds5

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

ethyl 2-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetate (PubChem CID 25247878) has the molecular formula C14H15NO3S and a molecular weight of 277.35 g/mol. Its IUPAC name is ethyl 2-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetate
PubChem CID25247878
Molecular FormulaC14H15NO3S
Molecular Weight277.35 g/mol
Exact Mass277.08
IUPAC Nameethyl 2-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetate
SMILESCCOC(=O)Cc1cnc(-c2ccc(OC)cc2)s1
InChIInChI=1S/C14H15NO3S/c1-3-18-13(16)8-12-9-15-14(19-12)10-4-6-11(17-2)7-5-10/h4-7,9H,3,8H2,1-2H3
InChIKeyQQTPTPPOZXLLNT-UHFFFAOYSA-N
XLogP2.92
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

copper;2,2-difluoro-3-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]propanoic acid
CID 159377510
2-[2-(3,5-dimethoxyphenyl)-1,3-thiazol-5-yl]acetic acid
CID 82369371
2-(4-methoxyphenyl)-1,3-thiazole-5-carbohydrazide
CID 82424257
ethyl 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79474663
amino 2-(4-methoxyphenyl)-1,3-thiazole-5-carboxylate
CID 141145829
ethyl 2-(2-tert-butyl-1,3-thiazol-5-yl)acetate
CID 58560957
diethyl 2-(4-methoxyphenyl)-1,3-thiazole-4,5-dicarboxylate
CID 149293605
ethyl 2-(7-methoxyquinolin-3-yl)acetate
CID 90417413
ethyl 2-(6-methoxynaphthalen-2-yl)acetate
CID 11265053
2-[2-(4-propylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 116852062
(2-phenyl-1,3-thiazol-5-yl)methyl 2-(5-methoxy-1H-indol-3-yl)acetate
CID 78876841
1-[2-(6-methoxynaphthalen-2-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 61280182

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetate?
The IUPAC name of ethyl 2-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetate (CID 25247878) is ethyl 2-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetate?
The canonical SMILES for ethyl 2-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetate is CCOC(=O)Cc1cnc(-c2ccc(OC)cc2)s1.
What is the InChIKey of ethyl 2-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetate?
The InChIKey is QQTPTPPOZXLLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-3-18-13(16)8-12-9-15-14(19-12)10-4-6-11(17-2)7-5-10/h4-7,9H,3,8H2,1-2H3.
What are the key properties of ethyl 2-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetate?
ethyl 2-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetate has a molecular weight of 277.35 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(4-methoxyphenyl)-1,3-thiazol-5-yl]acetate is sourced from PubChem (CID 25247878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).