4-(3-aminophenyl)-2-methyl-1,3-thiazole-5-carboxylic acid

C11H10N2O2S — CID 82226719

IUPAC4-(3-aminophenyl)-2-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(-c2cccc(N)c2)c(C(=O)O)s1
InChIInChI=1S/C11H10N2O2S/c1-6-13-9(10(16-6)11(14)15)7-3-2-4-8(12)5-7/h2-5H,12H2,1H3,(H,14,15)
InChIKeyAAZADRCVUWGYMJ-UHFFFAOYSA-N
MW234.28 g/mol
LogP2.40
Rot. Bonds2

About 4-(3-aminophenyl)-2-methyl-1,3-thiazole-5-carboxylic acid

4-(3-aminophenyl)-2-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 82226719) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is 4-(3-aminophenyl)-2-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(3-aminophenyl)-2-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID82226719
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Name4-(3-aminophenyl)-2-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(-c2cccc(N)c2)c(C(=O)O)s1
InChIInChI=1S/C11H10N2O2S/c1-6-13-9(10(16-6)11(14)15)7-3-2-4-8(12)5-7/h2-5H,12H2,1H3,(H,14,15)
InChIKeyAAZADRCVUWGYMJ-UHFFFAOYSA-N
XLogP2.40
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(3-bromophenyl)-2-methyl-1,3-thiazole-5-carboxylic acid
CID 82226681
4-(3-aminophenyl)-2-ethyl-1,3-thiazole-5-carboxylic acid
CID 82226903
2-methyl-4-(4-phenylphenyl)-1,3-thiazole-5-carboxylic acid
CID 95495373
3-(2,5-dimethyl-1,3-thiazol-4-yl)aniline
CID 82126255
4-(3-aminophenyl)-2-(2-methoxyethyl)-1,3-thiazole-5-carboxylic acid
CID 82226849
4-(2,6-dimethylphenyl)-2-methyl-1,3-thiazole-5-carboxylic acid
CID 131867670
2-(3-aminophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 58326660
4-(3-amino-4-ethoxyphenyl)-2-methyl-1,3-thiazole-5-carboxylic acid
CID 82226714
5-acetyl-2-(3-aminophenyl)-1,3-thiazole-4-carboxylic acid
CID 107380226
1-(2-methyl-4-phenyl-1,3-thiazol-5-yl)ethanone
CID 59263615
2-methyl-4-(4-phenoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 90854958
4-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-thiazole-5-carboxylic acid
CID 94703596

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminophenyl)-2-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-(3-aminophenyl)-2-methyl-1,3-thiazole-5-carboxylic acid (CID 82226719) is 4-(3-aminophenyl)-2-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-(3-aminophenyl)-2-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-(3-aminophenyl)-2-methyl-1,3-thiazole-5-carboxylic acid is Cc1nc(-c2cccc(N)c2)c(C(=O)O)s1.
What is the InChIKey of 4-(3-aminophenyl)-2-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is AAZADRCVUWGYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S/c1-6-13-9(10(16-6)11(14)15)7-3-2-4-8(12)5-7/h2-5H,12H2,1H3,(H,14,15).
What are the key properties of 4-(3-aminophenyl)-2-methyl-1,3-thiazole-5-carboxylic acid?
4-(3-aminophenyl)-2-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 234.28 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminophenyl)-2-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 82226719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).