2-[[[2-(4-ethylphenoxy)acetyl]amino]methyl]-1,3-thiazole-4-carboxylic acid

C15H16N2O4S — CID 119244722

IUPAC2-[[[2-(4-ethylphenoxy)acetyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
SMILESCCc1ccc(OCC(=O)NCc2nc(C(=O)O)cs2)cc1
InChIInChI=1S/C15H16N2O4S/c1-2-10-3-5-11(6-4-10)21-8-13(18)16-7-14-17-12(9-22-14)15(19)20/h3-6,9H,2,7-8H2,1H3,(H,16,18)(H,19,20)
InChIKeySFBQCCZMMAFCRN-UHFFFAOYSA-N
MW320.37 g/mol
LogP2.10
Rot. Bonds7

About 2-[[[2-(4-ethylphenoxy)acetyl]amino]methyl]-1,3-thiazole-4-carboxylic acid

2-[[[2-(4-ethylphenoxy)acetyl]amino]methyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 119244722) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is 2-[[[2-(4-ethylphenoxy)acetyl]amino]methyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[[[2-(4-ethylphenoxy)acetyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
PubChem CID119244722
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC Name2-[[[2-(4-ethylphenoxy)acetyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
SMILESCCc1ccc(OCC(=O)NCc2nc(C(=O)O)cs2)cc1
InChIInChI=1S/C15H16N2O4S/c1-2-10-3-5-11(6-4-10)21-8-13(18)16-7-14-17-12(9-22-14)15(19)20/h3-6,9H,2,7-8H2,1H3,(H,16,18)(H,19,20)
InChIKeySFBQCCZMMAFCRN-UHFFFAOYSA-N
XLogP2.10
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[3-(4-ethoxyphenyl)propanoylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119244752
2-[3-(4-ethylphenoxy)propyl]-1,3-thiazole-4-carboxylic acid
CID 82054905
2-[[4-(4-ethoxyphenoxy)butanoylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119245291
2-[2-(4-ethylphenyl)ethyl]-1,3-thiazole-4-carboxylic acid
CID 82302250
2-[[3-(4-methylphenyl)propanoylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66380847
2-(4-ethylphenoxy)-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 32959130
2-(4-ethylphenoxy)-N-(pyridin-4-ylmethyl)acetamide
CID 957282
N-[(3,5-difluorophenyl)methyl]-2-[[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]methyl]-1,3-thiazole-4-carboxamide
CID 143120876
2-(4-aminophenoxy)-N-[(4-ethylphenyl)methyl]acetamide
CID 106899089
2-[2-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxylic acid
CID 82303210
2-[[(2-acetamidoacetyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66380091
2-[(4-ethylphenyl)methylamino]-1,3-thiazole-4-carboxylic acid
CID 106900901

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(4-ethylphenoxy)acetyl]amino]methyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[[[2-(4-ethylphenoxy)acetyl]amino]methyl]-1,3-thiazole-4-carboxylic acid (CID 119244722) is 2-[[[2-(4-ethylphenoxy)acetyl]amino]methyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[[[2-(4-ethylphenoxy)acetyl]amino]methyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[[[2-(4-ethylphenoxy)acetyl]amino]methyl]-1,3-thiazole-4-carboxylic acid is CCc1ccc(OCC(=O)NCc2nc(C(=O)O)cs2)cc1.
What is the InChIKey of 2-[[[2-(4-ethylphenoxy)acetyl]amino]methyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is SFBQCCZMMAFCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S/c1-2-10-3-5-11(6-4-10)21-8-13(18)16-7-14-17-12(9-22-14)15(19)20/h3-6,9H,2,7-8H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 2-[[[2-(4-ethylphenoxy)acetyl]amino]methyl]-1,3-thiazole-4-carboxylic acid?
2-[[[2-(4-ethylphenoxy)acetyl]amino]methyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 320.37 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-(4-ethylphenoxy)acetyl]amino]methyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 119244722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).