4-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid

C18H16N2O2S — CID 23889662

IUPAC4-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid
SMILESCCc1ccc(-c2csc(Nc3ccc(C(=O)O)cc3)n2)cc1
InChIInChI=1S/C18H16N2O2S/c1-2-12-3-5-13(6-4-12)16-11-23-18(20-16)19-15-9-7-14(8-10-15)17(21)22/h3-11H,2H2,1H3,(H,19,20)(H,21,22)
InChIKeyZPLRNQNCWALJAW-UHFFFAOYSA-N
MW324.41 g/mol
LogP4.81
Rot. Bonds5

About 4-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid

4-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid (PubChem CID 23889662) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is 4-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid
PubChem CID23889662
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC Name4-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid
SMILESCCc1ccc(-c2csc(Nc3ccc(C(=O)O)cc3)n2)cc1
InChIInChI=1S/C18H16N2O2S/c1-2-12-3-5-13(6-4-12)16-11-23-18(20-16)19-15-9-7-14(8-10-15)17(21)22/h3-11H,2H2,1H3,(H,19,20)(H,21,22)
InChIKeyZPLRNQNCWALJAW-UHFFFAOYSA-N
XLogP4.81
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]benzoic 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

4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzoic acid
CID 877536
4-[[4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid
CID 10150294
4-[[4-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]benzoic acid
CID 58911122
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-phenylbenzamide
CID 3308072
[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]urea
CID 100741988
N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]propanamide;hydrochloride
CID 42914899
1-[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
CID 84564240
2-(4-acetamidophenyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 46667868
1-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-methylbenzene-1,3-diamine
CID 93206370
4-(2-hydrazinyl-1,3-thiazol-4-yl)benzoic acid
CID 7174481
ethyl 4-[[4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-yl]amino]benzoate
CID 58910528
4-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]benzoic acid
CID 59807342

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid?
The IUPAC name of 4-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid (CID 23889662) is 4-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid.
What is the SMILES notation for 4-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid?
The canonical SMILES for 4-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid is CCc1ccc(-c2csc(Nc3ccc(C(=O)O)cc3)n2)cc1.
What is the InChIKey of 4-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid?
The InChIKey is ZPLRNQNCWALJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S/c1-2-12-3-5-13(6-4-12)16-11-23-18(20-16)19-15-9-7-14(8-10-15)17(21)22/h3-11H,2H2,1H3,(H,19,20)(H,21,22).
What are the key properties of 4-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid?
4-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid has a molecular weight of 324.41 g/mol, XLogP of 4.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]amino]benzoic acid is sourced from PubChem (CID 23889662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).