5-(4-methylanilino)-1,3-thiazole-4-carboxylic acid

C11H10N2O2S — CID 64630281

IUPAC5-(4-methylanilino)-1,3-thiazole-4-carboxylic acid
SMILESCc1ccc(Nc2scnc2C(=O)O)cc1
InChIInChI=1S/C11H10N2O2S/c1-7-2-4-8(5-3-7)13-10-9(11(14)15)12-6-16-10/h2-6,13H,1H3,(H,14,15)
InChIKeyUNEWXXNEFSIHOS-UHFFFAOYSA-N
MW234.28 g/mol
LogP2.89
Rot. Bonds3

About 5-(4-methylanilino)-1,3-thiazole-4-carboxylic acid

5-(4-methylanilino)-1,3-thiazole-4-carboxylic acid (PubChem CID 64630281) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is 5-(4-methylanilino)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(4-methylanilino)-1,3-thiazole-4-carboxylic acid
PubChem CID64630281
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Name5-(4-methylanilino)-1,3-thiazole-4-carboxylic acid
SMILESCc1ccc(Nc2scnc2C(=O)O)cc1
InChIInChI=1S/C11H10N2O2S/c1-7-2-4-8(5-3-7)13-10-9(11(14)15)12-6-16-10/h2-6,13H,1H3,(H,14,15)
InChIKeyUNEWXXNEFSIHOS-UHFFFAOYSA-N
XLogP2.89
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(4-methylanilino)-1,3-thiazole-4-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

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylanilino)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-(4-methylanilino)-1,3-thiazole-4-carboxylic acid (CID 64630281) is 5-(4-methylanilino)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-(4-methylanilino)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-(4-methylanilino)-1,3-thiazole-4-carboxylic acid is Cc1ccc(Nc2scnc2C(=O)O)cc1.
What is the InChIKey of 5-(4-methylanilino)-1,3-thiazole-4-carboxylic acid?
The InChIKey is UNEWXXNEFSIHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S/c1-7-2-4-8(5-3-7)13-10-9(11(14)15)12-6-16-10/h2-6,13H,1H3,(H,14,15).
What are the key properties of 5-(4-methylanilino)-1,3-thiazole-4-carboxylic acid?
5-(4-methylanilino)-1,3-thiazole-4-carboxylic acid has a molecular weight of 234.28 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylanilino)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 64630281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).