methyl 4-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]benzoate

C19H16N2O3S — CID 4794716

IUPACmethyl 4-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)Cc2csc(-c3ccccc3)n2)cc1
InChIInChI=1S/C19H16N2O3S/c1-24-19(23)14-7-9-15(10-8-14)20-17(22)11-16-12-25-18(21-16)13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,20,22)
InChIKeyOOHRZTDNMGFKDU-UHFFFAOYSA-N
MW352.42 g/mol
LogP3.78
Rot. Bonds5

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

methyl 4-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]benzoate (PubChem CID 4794716) has the molecular formula C19H16N2O3S and a molecular weight of 352.42 g/mol. Its IUPAC name is methyl 4-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]benzoate
PubChem CID4794716
Molecular FormulaC19H16N2O3S
Molecular Weight352.42 g/mol
Exact Mass352.09
IUPAC Namemethyl 4-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)Cc2csc(-c3ccccc3)n2)cc1
InChIInChI=1S/C19H16N2O3S/c1-24-19(23)14-7-9-15(10-8-14)20-17(22)11-16-12-25-18(21-16)13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,20,22)
InChIKeyOOHRZTDNMGFKDU-UHFFFAOYSA-N
XLogP3.78
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]benzoate 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

N-methyl-4-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]benzamide
CID 9164577
methyl 4-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]oxybenzoate
CID 7956863
methyl 4-[[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]benzoate
CID 46422675
methyl 4-[[2-(2-acetamido-1,3-thiazol-4-yl)acetyl]amino]benzoate
CID 41227458
N-(4-methyl-3-sulfamoylphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 18159552
N-[(4-acetamidophenyl)methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 18153830
2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-(4-phenylphenyl)acetamide
CID 16560777
N-(3-hydroxyphenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 78783427
methyl 4-[[[2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetyl]amino]methyl]benzoate
CID 18192876
methyl 4-[[2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]acetyl]amino]benzoate
CID 110450768
4-[[2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 46586199
2-(4-methoxyphenyl)-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 2978424

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]benzoate (CID 4794716) is methyl 4-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]benzoate is COC(=O)c1ccc(NC(=O)Cc2csc(-c3ccccc3)n2)cc1.
What is the InChIKey of methyl 4-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]benzoate?
The InChIKey is OOHRZTDNMGFKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3S/c1-24-19(23)14-7-9-15(10-8-14)20-17(22)11-16-12-25-18(21-16)13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,20,22).
What are the key properties of methyl 4-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]benzoate?
methyl 4-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]benzoate has a molecular weight of 352.42 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]benzoate is sourced from PubChem (CID 4794716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).