2-(2-ethoxy-3-methoxyphenyl)-4-ethyl-1,3-thiazole-5-carboxylic acid

C15H17NO4S — CID 20991959

IUPAC2-(2-ethoxy-3-methoxyphenyl)-4-ethyl-1,3-thiazole-5-carboxylic acid
SMILESCCOc1c(OC)cccc1-c1nc(CC)c(C(=O)O)s1
InChIInChI=1S/C15H17NO4S/c1-4-10-13(15(17)18)21-14(16-10)9-7-6-8-11(19-3)12(9)20-5-2/h6-8H,4-5H2,1-3H3,(H,17,18)
InChIKeyKTLFYMCPCRHKQR-UHFFFAOYSA-N
MW307.37 g/mol
LogP3.48
Rot. Bonds6

About 2-(2-ethoxy-3-methoxyphenyl)-4-ethyl-1,3-thiazole-5-carboxylic acid

2-(2-ethoxy-3-methoxyphenyl)-4-ethyl-1,3-thiazole-5-carboxylic acid (PubChem CID 20991959) has the molecular formula C15H17NO4S and a molecular weight of 307.37 g/mol. Its IUPAC name is 2-(2-ethoxy-3-methoxyphenyl)-4-ethyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-ethoxy-3-methoxyphenyl)-4-ethyl-1,3-thiazole-5-carboxylic acid
PubChem CID20991959
Molecular FormulaC15H17NO4S
Molecular Weight307.37 g/mol
Exact Mass307.09
IUPAC Name2-(2-ethoxy-3-methoxyphenyl)-4-ethyl-1,3-thiazole-5-carboxylic acid
SMILESCCOc1c(OC)cccc1-c1nc(CC)c(C(=O)O)s1
InChIInChI=1S/C15H17NO4S/c1-4-10-13(15(17)18)21-14(16-10)9-7-6-8-11(19-3)12(9)20-5-2/h6-8H,4-5H2,1-3H3,(H,17,18)
InChIKeyKTLFYMCPCRHKQR-UHFFFAOYSA-N
XLogP3.48
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-2-[3-methoxy-2-(2-phenoxyethoxy)phenyl]-1,3-thiazole-5-carboxylic acid
CID 20985225
4-ethyl-2-[3-methoxy-2-(3-phenylpropoxy)phenyl]-1,3-thiazole-5-carboxylic acid
CID 20991114
4-ethyl-2-[3-methoxy-2-[(2-methylphenyl)methoxy]phenyl]-1,3-thiazole-5-carboxylic acid
CID 22685652
4-ethyl-2-[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-1,3-thiazole-5-carboxylic acid
CID 20987781
1-[2-(2-ethoxy-3-methoxyphenyl)-4-ethyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82430165
[2-(2-ethoxy-3-methoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 82441264
4-ethyl-2-(2-ethylphenyl)-1,3-thiazole-5-carboxylic acid
CID 113459536
2-(2-ethoxy-3-methoxyphenyl)-1,3-benzothiazole
CID 16766166
[2-(2-ethoxy-3-methoxyphenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanamine
CID 82441266
4-ethyl-2-[3-[2-(2-methoxyphenoxy)ethoxy]phenyl]-1,3-thiazole-5-carboxylic acid
CID 22683034
2-[2-(2-ethoxy-3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol
CID 82427169
4-ethyl-2-[4-methoxy-2-(2-phenoxyethoxy)phenyl]-1,3-thiazole-5-carboxylic acid
CID 22683211

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-3-methoxyphenyl)-4-ethyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(2-ethoxy-3-methoxyphenyl)-4-ethyl-1,3-thiazole-5-carboxylic acid (CID 20991959) is 2-(2-ethoxy-3-methoxyphenyl)-4-ethyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(2-ethoxy-3-methoxyphenyl)-4-ethyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(2-ethoxy-3-methoxyphenyl)-4-ethyl-1,3-thiazole-5-carboxylic acid is CCOc1c(OC)cccc1-c1nc(CC)c(C(=O)O)s1.
What is the InChIKey of 2-(2-ethoxy-3-methoxyphenyl)-4-ethyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is KTLFYMCPCRHKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4S/c1-4-10-13(15(17)18)21-14(16-10)9-7-6-8-11(19-3)12(9)20-5-2/h6-8H,4-5H2,1-3H3,(H,17,18).
What are the key properties of 2-(2-ethoxy-3-methoxyphenyl)-4-ethyl-1,3-thiazole-5-carboxylic acid?
2-(2-ethoxy-3-methoxyphenyl)-4-ethyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 307.37 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-3-methoxyphenyl)-4-ethyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 20991959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).