4-methyl-3-[2-(4-methylphenoxy)ethyl]-2-oxo-1,3-thiazole-5-carboxylic acid

C14H15NO4S — CID 82225342

IUPAC4-methyl-3-[2-(4-methylphenoxy)ethyl]-2-oxo-1,3-thiazole-5-carboxylic acid
SMILESCc1ccc(OCCn2c(C)c(C(=O)O)sc2=O)cc1
InChIInChI=1S/C14H15NO4S/c1-9-3-5-11(6-4-9)19-8-7-15-10(2)12(13(16)17)20-14(15)18/h3-6H,7-8H2,1-2H3,(H,16,17)
InChIKeyTVAKVAMOHSSGJI-UHFFFAOYSA-N
MW293.34 g/mol
LogP2.30
Rot. Bonds5

About 4-methyl-3-[2-(4-methylphenoxy)ethyl]-2-oxo-1,3-thiazole-5-carboxylic acid

4-methyl-3-[2-(4-methylphenoxy)ethyl]-2-oxo-1,3-thiazole-5-carboxylic acid (PubChem CID 82225342) has the molecular formula C14H15NO4S and a molecular weight of 293.34 g/mol. Its IUPAC name is 4-methyl-3-[2-(4-methylphenoxy)ethyl]-2-oxo-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-3-[2-(4-methylphenoxy)ethyl]-2-oxo-1,3-thiazole-5-carboxylic acid
PubChem CID82225342
Molecular FormulaC14H15NO4S
Molecular Weight293.34 g/mol
Exact Mass293.07
IUPAC Name4-methyl-3-[2-(4-methylphenoxy)ethyl]-2-oxo-1,3-thiazole-5-carboxylic acid
SMILESCc1ccc(OCCn2c(C)c(C(=O)O)sc2=O)cc1
InChIInChI=1S/C14H15NO4S/c1-9-3-5-11(6-4-9)19-8-7-15-10(2)12(13(16)17)20-14(15)18/h3-6H,7-8H2,1-2H3,(H,16,17)
InChIKeyTVAKVAMOHSSGJI-UHFFFAOYSA-N
XLogP2.30
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-3-[(4-methylphenyl)methyl]-2-oxo-1,3-thiazole-5-carboxylic acid
CID 82028792
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4-[2-(4-methylphenoxy)ethyl]morpholine;oxalic acid
CID 44827969
2-(4-methylphenoxy)ethyl 2-(2-oxo-1,3-benzothiazol-3-yl)acetate
CID 4280363
1-[2-methyl-1-[2-(4-methylphenoxy)ethyl]indol-3-yl]ethanone
CID 21380816
5-methyl-1-[2-(4-methylphenoxy)ethyl]pyrazole-3-carboxylic acid
CID 82301522
4-[2-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)ethoxy]benzoic acid
CID 82097971
3-methyl-1-[2-(4-methylphenoxy)ethyl]piperidine-3-carboxylic acid
CID 63136652
4-hydroxy-3-[2-(4-methylphenoxy)ethyl]-5-[(Z)-(2-oxonaphthalen-1-ylidene)methyl]-1,3-thiazol-2-one
CID 135968452
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CID 142364163
[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-morpholin-4-ylmethanone
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CID 9205006

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[2-(4-methylphenoxy)ethyl]-2-oxo-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-methyl-3-[2-(4-methylphenoxy)ethyl]-2-oxo-1,3-thiazole-5-carboxylic acid (CID 82225342) is 4-methyl-3-[2-(4-methylphenoxy)ethyl]-2-oxo-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-methyl-3-[2-(4-methylphenoxy)ethyl]-2-oxo-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-methyl-3-[2-(4-methylphenoxy)ethyl]-2-oxo-1,3-thiazole-5-carboxylic acid is Cc1ccc(OCCn2c(C)c(C(=O)O)sc2=O)cc1.
What is the InChIKey of 4-methyl-3-[2-(4-methylphenoxy)ethyl]-2-oxo-1,3-thiazole-5-carboxylic acid?
The InChIKey is TVAKVAMOHSSGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4S/c1-9-3-5-11(6-4-9)19-8-7-15-10(2)12(13(16)17)20-14(15)18/h3-6H,7-8H2,1-2H3,(H,16,17).
What are the key properties of 4-methyl-3-[2-(4-methylphenoxy)ethyl]-2-oxo-1,3-thiazole-5-carboxylic acid?
4-methyl-3-[2-(4-methylphenoxy)ethyl]-2-oxo-1,3-thiazole-5-carboxylic acid has a molecular weight of 293.34 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[2-(4-methylphenoxy)ethyl]-2-oxo-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 82225342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).