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

C11H8F2N2O2S — CID 113306662

IUPAC2-(3,5-difluoroanilino)-5-methyl-1,3-thiazole-4-carboxylic acid
SMILESCc1sc(Nc2cc(F)cc(F)c2)nc1C(=O)O
InChIInChI=1S/C11H8F2N2O2S/c1-5-9(10(16)17)15-11(18-5)14-8-3-6(12)2-7(13)4-8/h2-4H,1H3,(H,14,15)(H,16,17)
InChIKeyYKZOJIVMCULNAJ-UHFFFAOYSA-N
MW270.26 g/mol
LogP3.17
Rot. Bonds3

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

2-(3,5-difluoroanilino)-5-methyl-1,3-thiazole-4-carboxylic acid (PubChem CID 113306662) has the molecular formula C11H8F2N2O2S and a molecular weight of 270.26 g/mol. Its IUPAC name is 2-(3,5-difluoroanilino)-5-methyl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(3,5-difluoroanilino)-5-methyl-1,3-thiazole-4-carboxylic acid
PubChem CID113306662
Molecular FormulaC11H8F2N2O2S
Molecular Weight270.26 g/mol
Exact Mass270.03
IUPAC Name2-(3,5-difluoroanilino)-5-methyl-1,3-thiazole-4-carboxylic acid
SMILESCc1sc(Nc2cc(F)cc(F)c2)nc1C(=O)O
InChIInChI=1S/C11H8F2N2O2S/c1-5-9(10(16)17)15-11(18-5)14-8-3-6(12)2-7(13)4-8/h2-4H,1H3,(H,14,15)(H,16,17)
InChIKeyYKZOJIVMCULNAJ-UHFFFAOYSA-N
XLogP3.17
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(3,5-difluoroanilino)-5-methyl-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

Related Compounds

2-[2-(3,5-difluorophenyl)ethylamino]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115424262
2-(4-bromo-2-fluoroanilino)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 113306601
5-methyl-2-(4-propylanilino)-1,3-thiazole-4-carboxylic acid
CID 113306721
2-(2,3-difluoroanilino)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115423702
2-[3-(methoxymethyl)anilino]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 113306940
2-(4-butylanilino)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115423504
5-acetyl-2-(3,4,5-trifluoroanilino)-1,3-thiazole-4-carboxylic acid
CID 106697529
5-acetyl-2-(3,5-dichloro-4-fluoroanilino)-1,3-thiazole-4-carboxylic acid
CID 107580557
2-(tert-butylamino)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115423000
2-(2-chloro-6-methylanilino)-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115424811
2-[1-(4-fluorophenyl)propan-2-ylamino]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115424374
5-acetyl-2-(4-bromo-3,5-dimethylanilino)-1,3-thiazole-4-carboxylic acid
CID 107580542

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluoroanilino)-5-methyl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(3,5-difluoroanilino)-5-methyl-1,3-thiazole-4-carboxylic acid (CID 113306662) is 2-(3,5-difluoroanilino)-5-methyl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(3,5-difluoroanilino)-5-methyl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(3,5-difluoroanilino)-5-methyl-1,3-thiazole-4-carboxylic acid is Cc1sc(Nc2cc(F)cc(F)c2)nc1C(=O)O.
What is the InChIKey of 2-(3,5-difluoroanilino)-5-methyl-1,3-thiazole-4-carboxylic acid?
The InChIKey is YKZOJIVMCULNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N2O2S/c1-5-9(10(16)17)15-11(18-5)14-8-3-6(12)2-7(13)4-8/h2-4H,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-(3,5-difluoroanilino)-5-methyl-1,3-thiazole-4-carboxylic acid?
2-(3,5-difluoroanilino)-5-methyl-1,3-thiazole-4-carboxylic acid has a molecular weight of 270.26 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluoroanilino)-5-methyl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 113306662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).