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

C12H12N2O3S — CID 114358831

IUPAC2-(4-aminophenyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
SMILESCOCc1nc(-c2ccc(N)cc2)sc1C(=O)O
InChIInChI=1S/C12H12N2O3S/c1-17-6-9-10(12(15)16)18-11(14-9)7-2-4-8(13)5-3-7/h2-5H,6,13H2,1H3,(H,15,16)
InChIKeyJEFYXRLALAYMOF-UHFFFAOYSA-N
MW264.31 g/mol
LogP2.24
Rot. Bonds4

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

2-(4-aminophenyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 114358831) has the molecular formula C12H12N2O3S and a molecular weight of 264.31 g/mol. Its IUPAC name is 2-(4-aminophenyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(4-aminophenyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
PubChem CID114358831
Molecular FormulaC12H12N2O3S
Molecular Weight264.31 g/mol
Exact Mass264.06
IUPAC Name2-(4-aminophenyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
SMILESCOCc1nc(-c2ccc(N)cc2)sc1C(=O)O
InChIInChI=1S/C12H12N2O3S/c1-17-6-9-10(12(15)16)18-11(14-9)7-2-4-8(13)5-3-7/h2-5H,6,13H2,1H3,(H,15,16)
InChIKeyJEFYXRLALAYMOF-UHFFFAOYSA-N
XLogP2.24
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(4-aminophenyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-bromophenyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 114359955
4-(methoxymethyl)-2-pyridin-4-yl-1,3-thiazole-5-carboxylic acid
CID 82227122
2-(1,3-benzodioxol-5-yl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 114360789
4-(methoxymethyl)-2-(4-methylphenyl)-1,3-thiazole-5-carbohydrazide
CID 82440233
4-(methoxymethyl)-2-(4-methoxyphenyl)-1,3-thiazole-5-carbohydrazide
CID 82441216
methyl 2-(4-bromophenyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylate
CID 114374866
4-(methoxymethyl)-2-[2-(methoxymethyl)phenyl]-1,3-thiazole-5-carboxylic acid
CID 114360750
2-(4-aminophenyl)-4-tert-butyl-1,3-thiazole-5-carboxylic acid
CID 114358827
2-(4-methylphenyl)-4-(phenoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 82227035
methyl 2-(3-aminophenyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylate
CID 114358841
4-(methoxymethyl)-2-(1,3-thiazol-4-yl)-1,3-thiazole-5-carboxylic acid
CID 114359943
4-[(4-methylphenoxy)methyl]-2-phenyl-1,3-thiazole-5-carboxylic acid
CID 82226795

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(4-aminophenyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid (CID 114358831) is 2-(4-aminophenyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(4-aminophenyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(4-aminophenyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid is COCc1nc(-c2ccc(N)cc2)sc1C(=O)O.
What is the InChIKey of 2-(4-aminophenyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is JEFYXRLALAYMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S/c1-17-6-9-10(12(15)16)18-11(14-9)7-2-4-8(13)5-3-7/h2-5H,6,13H2,1H3,(H,15,16).
What are the key properties of 2-(4-aminophenyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid?
2-(4-aminophenyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 264.31 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-4-(methoxymethyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 114358831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).