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

C12H12N2O3S — CID 82133572

IUPAC2-amino-4-(4-methoxy-3-methylphenyl)-1,3-thiazole-5-carboxylic acid
SMILESCOc1ccc(-c2nc(N)sc2C(=O)O)cc1C
InChIInChI=1S/C12H12N2O3S/c1-6-5-7(3-4-8(6)17-2)9-10(11(15)16)18-12(13)14-9/h3-5H,1-2H3,(H2,13,14)(H,15,16)
InChIKeyCTJUEUIGBHINCM-UHFFFAOYSA-N
MW264.31 g/mol
LogP2.41
Rot. Bonds3

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

2-amino-4-(4-methoxy-3-methylphenyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 82133572) has the molecular formula C12H12N2O3S and a molecular weight of 264.31 g/mol. Its IUPAC name is 2-amino-4-(4-methoxy-3-methylphenyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-amino-4-(4-methoxy-3-methylphenyl)-1,3-thiazole-5-carboxylic acid
PubChem CID82133572
Molecular FormulaC12H12N2O3S
Molecular Weight264.31 g/mol
Exact Mass264.06
IUPAC Name2-amino-4-(4-methoxy-3-methylphenyl)-1,3-thiazole-5-carboxylic acid
SMILESCOc1ccc(-c2nc(N)sc2C(=O)O)cc1C
InChIInChI=1S/C12H12N2O3S/c1-6-5-7(3-4-8(6)17-2)9-10(11(15)16)18-12(13)14-9/h3-5H,1-2H3,(H2,13,14)(H,15,16)
InChIKeyCTJUEUIGBHINCM-UHFFFAOYSA-N
XLogP2.41
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-(4-ethoxy-3-methylphenyl)-1,3-thiazole-5-carboxylic acid
CID 95482127
ethyl 2-amino-4-(3,4-dimethylphenyl)-1,3-thiazole-5-carboxylate
CID 90477363
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-chloro-4-methoxyphenyl)-2-methyl-1,3-thiazole-5-carboxylic acid
CID 94703596
N-[5-amino-4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 82342336
4-(4-chloro-3-methoxyphenyl)-2-methyl-1,3-thiazole-5-carboxylic acid
CID 174768563
6-(4-methoxy-3-methylphenyl)-5-methyl-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82035494
methyl 4-amino-3-(4-methoxy-3-methylphenyl)-1,2-thiazole-5-carboxylate
CID 13073197
6-(4-methoxy-3-methylphenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82035502
3-amino-4-(4-methoxy-3-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 82086444
4-(3-amino-4-ethoxyphenyl)-2-methyl-1,3-thiazole-5-carboxylic acid
CID 82226714

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-methoxy-3-methylphenyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-amino-4-(4-methoxy-3-methylphenyl)-1,3-thiazole-5-carboxylic acid (CID 82133572) is 2-amino-4-(4-methoxy-3-methylphenyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-amino-4-(4-methoxy-3-methylphenyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-amino-4-(4-methoxy-3-methylphenyl)-1,3-thiazole-5-carboxylic acid is COc1ccc(-c2nc(N)sc2C(=O)O)cc1C.
What is the InChIKey of 2-amino-4-(4-methoxy-3-methylphenyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is CTJUEUIGBHINCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S/c1-6-5-7(3-4-8(6)17-2)9-10(11(15)16)18-12(13)14-9/h3-5H,1-2H3,(H2,13,14)(H,15,16).
What are the key properties of 2-amino-4-(4-methoxy-3-methylphenyl)-1,3-thiazole-5-carboxylic acid?
2-amino-4-(4-methoxy-3-methylphenyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 264.31 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-methoxy-3-methylphenyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 82133572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).