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

C18H16N2O2S — CID 67146644

IUPAC4-[[methyl-(4-phenyl-1,3-thiazol-2-yl)amino]methyl]benzoic acid
SMILESCN(Cc1ccc(C(=O)O)cc1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C18H16N2O2S/c1-20(11-13-7-9-15(10-8-13)17(21)22)18-19-16(12-23-18)14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,21,22)
InChIKeyDIIICPZMZDLKQA-UHFFFAOYSA-N
MW324.41 g/mol
LogP4.14
Rot. Bonds5

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

4-[[methyl-(4-phenyl-1,3-thiazol-2-yl)amino]methyl]benzoic acid (PubChem CID 67146644) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is 4-[[methyl-(4-phenyl-1,3-thiazol-2-yl)amino]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[methyl-(4-phenyl-1,3-thiazol-2-yl)amino]methyl]benzoic acid
PubChem CID67146644
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC Name4-[[methyl-(4-phenyl-1,3-thiazol-2-yl)amino]methyl]benzoic acid
SMILESCN(Cc1ccc(C(=O)O)cc1)c1nc(-c2ccccc2)cs1
InChIInChI=1S/C18H16N2O2S/c1-20(11-13-7-9-15(10-8-13)17(21)22)18-19-16(12-23-18)14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,21,22)
InChIKeyDIIICPZMZDLKQA-UHFFFAOYSA-N
XLogP4.14
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[methyl-(4-phenyl-1,3-thiazol-2-yl)amino]methyl]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-[[methyl-[4-[4-[methyl(3-phenylpropyl)amino]phenyl]-1,3-thiazol-2-yl]amino]methyl]benzoic acid
CID 23024070
2-[[4-[[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-methylamino]methyl]benzoyl]amino]-3-phenylpropanoic acid
CID 11569690
methyl 2-[4-[[4-[[methyl-(4-phenyl-1,3-thiazol-2-yl)amino]methyl]phenyl]methoxy]phenyl]acetate
CID 68883515
4-[[[4-[4-[(4-cyclohexylphenyl)methoxy]phenyl]-1,3-thiazol-2-yl]-methylamino]methyl]benzoic acid
CID 10239323
N-[4-[2-[benzyl(methyl)amino]-1,3-thiazol-4-yl]phenyl]-2-methylpropanamide
CID 42765930
4-[[[4-[6-[(4-cyclohexylphenyl)methyl-methylamino]-3-pyridinyl]-1,3-thiazol-2-yl]-methylamino]methyl]benzoic acid
CID 23023872
2-[[4-[[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]methyl]benzoyl]amino]propanoic acid
CID 23879499
2-[[4-[[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-methylamino]methyl]benzoyl]amino]-3-phenylpropanoic acid
CID 23737840
2-[[4-[[benzyl-(4-phenyl-1,3-thiazol-2-yl)amino]methyl]benzoyl]amino]propanoic acid
CID 23849178
2-[[4-[[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-methylamino]methyl]benzoyl]amino]acetic acid
CID 23792570
2-[[4-[[(4-phenyl-1,3-thiazol-2-yl)-propylamino]methyl]benzoyl]amino]acetic acid
CID 58675101
4-[2-[3,4-dichloro-N-[(4-oxalophenyl)methyl]anilino]-1,3-thiazol-4-yl]benzoic acid
CID 69256188

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl-(4-phenyl-1,3-thiazol-2-yl)amino]methyl]benzoic acid?
The IUPAC name of 4-[[methyl-(4-phenyl-1,3-thiazol-2-yl)amino]methyl]benzoic acid (CID 67146644) is 4-[[methyl-(4-phenyl-1,3-thiazol-2-yl)amino]methyl]benzoic acid.
What is the SMILES notation for 4-[[methyl-(4-phenyl-1,3-thiazol-2-yl)amino]methyl]benzoic acid?
The canonical SMILES for 4-[[methyl-(4-phenyl-1,3-thiazol-2-yl)amino]methyl]benzoic acid is CN(Cc1ccc(C(=O)O)cc1)c1nc(-c2ccccc2)cs1.
What is the InChIKey of 4-[[methyl-(4-phenyl-1,3-thiazol-2-yl)amino]methyl]benzoic acid?
The InChIKey is DIIICPZMZDLKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S/c1-20(11-13-7-9-15(10-8-13)17(21)22)18-19-16(12-23-18)14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,21,22).
What are the key properties of 4-[[methyl-(4-phenyl-1,3-thiazol-2-yl)amino]methyl]benzoic acid?
4-[[methyl-(4-phenyl-1,3-thiazol-2-yl)amino]methyl]benzoic acid has a molecular weight of 324.41 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl-(4-phenyl-1,3-thiazol-2-yl)amino]methyl]benzoic acid is sourced from PubChem (CID 67146644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).