2-amino-4-(4-ethoxy-3-methylphenyl)-1,3-thiazole-5-carboxylic acid

C13H14N2O3S — CID 95482127

IUPAC2-amino-4-(4-ethoxy-3-methylphenyl)-1,3-thiazole-5-carboxylic acid
SMILESCCOc1ccc(-c2nc(N)sc2C(=O)O)cc1C
InChIInChI=1S/C13H14N2O3S/c1-3-18-9-5-4-8(6-7(9)2)10-11(12(16)17)19-13(14)15-10/h4-6H,3H2,1-2H3,(H2,14,15)(H,16,17)
InChIKeyOSLYCMHSVUETGO-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.80
Rot. Bonds4

About 2-amino-4-(4-ethoxy-3-methylphenyl)-1,3-thiazole-5-carboxylic acid

2-amino-4-(4-ethoxy-3-methylphenyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 95482127) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is 2-amino-4-(4-ethoxy-3-methylphenyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-amino-4-(4-ethoxy-3-methylphenyl)-1,3-thiazole-5-carboxylic acid
PubChem CID95482127
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Name2-amino-4-(4-ethoxy-3-methylphenyl)-1,3-thiazole-5-carboxylic acid
SMILESCCOc1ccc(-c2nc(N)sc2C(=O)O)cc1C
InChIInChI=1S/C13H14N2O3S/c1-3-18-9-5-4-8(6-7(9)2)10-11(12(16)17)19-13(14)15-10/h4-6H,3H2,1-2H3,(H2,14,15)(H,16,17)
InChIKeyOSLYCMHSVUETGO-UHFFFAOYSA-N
XLogP2.80
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-(4-methoxy-3-methylphenyl)-1,3-thiazole-5-carboxylic acid
CID 82133572
4-(3-amino-4-ethoxyphenyl)-2-methyl-1,3-thiazole-5-carboxylic acid
CID 82226714
ethyl 2-amino-4-(3,4-dimethylphenyl)-1,3-thiazole-5-carboxylate
CID 90477363
4-(3,4-diethoxyphenyl)-5-methyl-1,3-thiazol-2-amine
CID 43141109
2-amino-4-(4-methyl-3-nitrophenyl)-1,3-thiazole-5-carboxylic acid
CID 82225715
ethyl 2-amino-4-(3-bromo-4-methoxyphenyl)-1,3-thiazole-5-carboxylate
CID 90477372
4-(3-bromo-4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-amine
CID 113438118
5-amino-4-(4-ethoxy-3-methylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 98019091
2-(3-ethoxy-4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 20991152
ethyl 2-amino-4-(3,5-dichlorophenyl)-1,3-thiazole-5-carboxylate
CID 34173292
4-(3-amino-4-methylphenyl)-2-(4-methylphenyl)-1,3-thiazole-5-carboxylic acid
CID 82227042
ethyl 2-amino-4-(4-chloro-3-nitrophenyl)-1,3-thiazole-5-carboxylate
CID 22282457

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-ethoxy-3-methylphenyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-amino-4-(4-ethoxy-3-methylphenyl)-1,3-thiazole-5-carboxylic acid (CID 95482127) is 2-amino-4-(4-ethoxy-3-methylphenyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-amino-4-(4-ethoxy-3-methylphenyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-amino-4-(4-ethoxy-3-methylphenyl)-1,3-thiazole-5-carboxylic acid is CCOc1ccc(-c2nc(N)sc2C(=O)O)cc1C.
What is the InChIKey of 2-amino-4-(4-ethoxy-3-methylphenyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is OSLYCMHSVUETGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-3-18-9-5-4-8(6-7(9)2)10-11(12(16)17)19-13(14)15-10/h4-6H,3H2,1-2H3,(H2,14,15)(H,16,17).
What are the key properties of 2-amino-4-(4-ethoxy-3-methylphenyl)-1,3-thiazole-5-carboxylic acid?
2-amino-4-(4-ethoxy-3-methylphenyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 278.33 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-ethoxy-3-methylphenyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 95482127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).