2-[2-(2-methylphenoxy)ethyl]-1,3-thiazole-5-carboxylic acid

C13H13NO3S — CID 82191076

IUPAC2-[2-(2-methylphenoxy)ethyl]-1,3-thiazole-5-carboxylic acid
SMILESCc1ccccc1OCCc1ncc(C(=O)O)s1
InChIInChI=1S/C13H13NO3S/c1-9-4-2-3-5-10(9)17-7-6-12-14-8-11(18-12)13(15)16/h2-5,8H,6-7H2,1H3,(H,15,16)
InChIKeyFRQTZEIGYKFGIN-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.77
Rot. Bonds5

About 2-[2-(2-methylphenoxy)ethyl]-1,3-thiazole-5-carboxylic acid

2-[2-(2-methylphenoxy)ethyl]-1,3-thiazole-5-carboxylic acid (PubChem CID 82191076) has the molecular formula C13H13NO3S and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-[2-(2-methylphenoxy)ethyl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[2-(2-methylphenoxy)ethyl]-1,3-thiazole-5-carboxylic acid
PubChem CID82191076
Molecular FormulaC13H13NO3S
Molecular Weight263.32 g/mol
Exact Mass263.06
IUPAC Name2-[2-(2-methylphenoxy)ethyl]-1,3-thiazole-5-carboxylic acid
SMILESCc1ccccc1OCCc1ncc(C(=O)O)s1
InChIInChI=1S/C13H13NO3S/c1-9-4-2-3-5-10(9)17-7-6-12-14-8-11(18-12)13(15)16/h2-5,8H,6-7H2,1H3,(H,15,16)
InChIKeyFRQTZEIGYKFGIN-UHFFFAOYSA-N
XLogP2.77
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-[2-(2-methylphenoxy)ethyl]-1,3-thiazole-5-carboxylic acid
CID 4874792
2-[2-(2,3-dimethylphenoxy)ethyl]-1,3-thiazole-5-carbohydrazide
CID 82423897
2-[2-(4-fluorophenoxy)ethyl]-1,3-thiazole-5-carboxylic acid
CID 82191158
2-[2-[2-(2-methylphenoxy)ethyl]-1,3-thiazol-5-yl]propan-2-ol
CID 82423770
2-[2-(3-chlorophenoxy)ethyl]-1,3-thiazole-5-carboxylic acid
CID 82191168
1-[2-[2-(2-methylphenoxy)ethyl]-4-propyl-1,3-thiazol-5-yl]ethanone
CID 82432483
2-[2-(2-chlorophenoxy)ethyl]-1,3-thiazole-5-carbohydrazide
CID 82424014
1-[4-ethyl-2-[2-(2-methylphenoxy)ethyl]-1,3-thiazol-5-yl]ethanone
CID 82429727
2-[(2-methylphenoxy)methyl]-1,3-thiazole-5-carbothioamide
CID 82422746
methyl 2-(2-phenylethyl)-1,3-thiazole-5-carboxylate
CID 80572742
5-[2-(2-methylphenoxy)ethyl]-1,3-oxazole-4-carboxylic acid
CID 82086418
2-(3,3-dimethylbutyl)-1,3-thiazole-5-carboxylic acid
CID 59238443

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylphenoxy)ethyl]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[2-(2-methylphenoxy)ethyl]-1,3-thiazole-5-carboxylic acid (CID 82191076) is 2-[2-(2-methylphenoxy)ethyl]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[2-(2-methylphenoxy)ethyl]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[2-(2-methylphenoxy)ethyl]-1,3-thiazole-5-carboxylic acid is Cc1ccccc1OCCc1ncc(C(=O)O)s1.
What is the InChIKey of 2-[2-(2-methylphenoxy)ethyl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is FRQTZEIGYKFGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3S/c1-9-4-2-3-5-10(9)17-7-6-12-14-8-11(18-12)13(15)16/h2-5,8H,6-7H2,1H3,(H,15,16).
What are the key properties of 2-[2-(2-methylphenoxy)ethyl]-1,3-thiazole-5-carboxylic acid?
2-[2-(2-methylphenoxy)ethyl]-1,3-thiazole-5-carboxylic acid has a molecular weight of 263.32 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylphenoxy)ethyl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 82191076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).