2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylic acid

C12H11NO3S — CID 20987012

IUPAC2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylic acid
SMILESCCOc1ccc(-c2nc(C(=O)O)cs2)cc1
InChIInChI=1S/C12H11NO3S/c1-2-16-9-5-3-8(4-6-9)11-13-10(7-17-11)12(14)15/h3-7H,2H2,1H3,(H,14,15)
InChIKeyZHHYXMCSEALDNM-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.91
Rot. Bonds4

About 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylic acid

2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylic acid (PubChem CID 20987012) has the molecular formula C12H11NO3S and a molecular weight of 249.29 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylic acid
PubChem CID20987012
Molecular FormulaC12H11NO3S
Molecular Weight249.29 g/mol
Exact Mass249.05
IUPAC Name2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylic acid
SMILESCCOc1ccc(-c2nc(C(=O)O)cs2)cc1
InChIInChI=1S/C12H11NO3S/c1-2-16-9-5-3-8(4-6-9)11-13-10(7-17-11)12(14)15/h3-7H,2H2,1H3,(H,14,15)
InChIKeyZHHYXMCSEALDNM-UHFFFAOYSA-N
XLogP2.91
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-(4-fluorophenoxy)ethoxy]phenyl]-1,3-thiazole-4-carboxylic acid
CID 22679862
2-(4-ethylphenyl)-1,3-thiazole-4-carboxylic acid
CID 4962607
2-[4-(4-methylphenoxy)phenyl]-1,3-thiazole-4-carboxylic acid
CID 20987125
prop-2-enyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate
CID 165153448
2-[4-[(4-bromophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxylic acid
CID 20988562
prop-2-ynyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate
CID 165153458
2-(4-ethoxyphenyl)-N-(1-hydroxypropan-2-yl)-1,3-thiazole-4-carboxamide
CID 78861167
2-(4-methylphenyl)-1,3-thiazole-4-carboxylic acid
CID 2794795
2-(4-ethoxyphenyl)-N'-(2-phenylacetyl)-1,3-thiazole-4-carbohydrazide
CID 46422350
2-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-1,3-thiazole-4-carboxylic acid
CID 20992347
thiophen-3-ylmethyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate
CID 155594299
2-[4-[2-(3-methyl-4-propan-2-ylphenoxy)ethoxy]phenyl]-1,3-thiazole-4-carboxylic acid
CID 22682280

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylic acid (CID 20987012) is 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylic acid is CCOc1ccc(-c2nc(C(=O)O)cs2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is ZHHYXMCSEALDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3S/c1-2-16-9-5-3-8(4-6-9)11-13-10(7-17-11)12(14)15/h3-7H,2H2,1H3,(H,14,15).
What are the key properties of 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylic acid?
2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 249.29 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 20987012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).