2-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]acetic acid

C13H14N2O3S — CID 842334

IUPAC2-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]acetic acid
SMILESCCOc1ccc(Nc2nc(CC(=O)O)cs2)cc1
InChIInChI=1S/C13H14N2O3S/c1-2-18-11-5-3-9(4-6-11)14-13-15-10(8-19-13)7-12(16)17/h3-6,8H,2,7H2,1H3,(H,14,15)(H,16,17)
InChIKeyQTCXSAKYPGZIQX-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.91
Rot. Bonds6

About 2-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]acetic acid

2-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]acetic acid (PubChem CID 842334) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is 2-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]acetic acid
PubChem CID842334
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name2-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]acetic acid
SMILESCCOc1ccc(Nc2nc(CC(=O)O)cs2)cc1
InChIInChI=1S/C13H14N2O3S/c1-2-18-11-5-3-9(4-6-11)14-13-15-10(8-19-13)7-12(16)17/h3-6,8H,2,7H2,1H3,(H,14,15)(H,16,17)
InChIKeyQTCXSAKYPGZIQX-UHFFFAOYSA-N
XLogP2.91
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2-(4-ethoxyanilino)-4-methyl-1,3-thiazole-5-carboxylate
CID 858301
3-[2-(4-Hydroxyanilino)-1,3-thiazol-4-yl]chromen-2-one
CID 695916
Ethyl 2-(2-{[(3-methoxyanilino)carbonyl]amino}-1,3-thiazol-4-yl)acetate
CID 2813997
Ethyl 2-((4-methoxyphenyl)amino)-1,3-thiazole-4-carboxylate
CID 2769692
N-{4-[(2-Methoxy-phenylcarbamoyl)-methyl]-thiazol-2-yl}-propionamide
CID 864703
1-{4-Methyl-2-[(4-phenoxyphenyl)amino]-1,3-thiazol-5-YL}ethanone hydrochloride
CID 867556
Ethyl (2-anilino-1,3-thiazol-4-yl)[(4-methoxyphenyl)hydrazono]acetate
CID 6270287
1-[4-Methyl-2-(4-phenoxyanilino)-1,3-thiazol-5-yl]ethanol
CID 66561560
5-ethyl-N-(4-methoxyphenyl)-4-methyl-1,3-thiazol-2-amine
CID 70689835
5-ethyl-4-methyl-N-(4-phenoxyphenyl)-1,3-thiazol-2-amine
CID 70691989
N-(4-cyclopentyloxyphenyl)-4-methyl-1,3-thiazol-2-amine
CID 137635973
4-methyl-N-(4-propoxyphenyl)-1,3-thiazol-2-amine
CID 137648841

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]acetic acid (CID 842334) is 2-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]acetic acid is CCOc1ccc(Nc2nc(CC(=O)O)cs2)cc1.
What is the InChIKey of 2-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is QTCXSAKYPGZIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-2-18-11-5-3-9(4-6-11)14-13-15-10(8-19-13)7-12(16)17/h3-6,8H,2,7H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]acetic acid?
2-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]acetic acid has a molecular weight of 278.33 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 842334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).