ethyl 2-[3-(5-phenyl-1H-pyrrol-2-yl)propanoylamino]-1,3-thiazole-4-carboxylate

C19H19N3O3S — CID 55985130

IUPACethyl 2-[3-(5-phenyl-1H-pyrrol-2-yl)propanoylamino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)CCc2ccc(-c3ccccc3)[nH]2)n1
InChIInChI=1S/C19H19N3O3S/c1-2-25-18(24)16-12-26-19(21-16)22-17(23)11-9-14-8-10-15(20-14)13-6-4-3-5-7-13/h3-8,10,12,20H,2,9,11H2,1H3,(H,21,22,23)
InChIKeyFOTZGWDXQJDGMU-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.89
Rot. Bonds7

About ethyl 2-[3-(5-phenyl-1H-pyrrol-2-yl)propanoylamino]-1,3-thiazole-4-carboxylate

ethyl 2-[3-(5-phenyl-1H-pyrrol-2-yl)propanoylamino]-1,3-thiazole-4-carboxylate (PubChem CID 55985130) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is ethyl 2-[3-(5-phenyl-1H-pyrrol-2-yl)propanoylamino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[3-(5-phenyl-1H-pyrrol-2-yl)propanoylamino]-1,3-thiazole-4-carboxylate
PubChem CID55985130
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Nameethyl 2-[3-(5-phenyl-1H-pyrrol-2-yl)propanoylamino]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)CCc2ccc(-c3ccccc3)[nH]2)n1
InChIInChI=1S/C19H19N3O3S/c1-2-25-18(24)16-12-26-19(21-16)22-17(23)11-9-14-8-10-15(20-14)13-6-4-3-5-7-13/h3-8,10,12,20H,2,9,11H2,1H3,(H,21,22,23)
InChIKeyFOTZGWDXQJDGMU-UHFFFAOYSA-N
XLogP3.89
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[3-(5-phenyl-1H-pyrrol-2-yl)propanoylamino]-1,3-thiazole-4-carboxylate 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

diethyl 2-[3-(5-phenyl-1H-pyrrol-2-yl)propanoylamino]propanedioate
CID 55909518
ethyl 2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]-1,3-thiazole-4-carboxylate
CID 51205241
ethyl 2-[3-(2,4-dimethylphenyl)propanoylamino]-1,3-thiazole-4-carboxylate
CID 51294869
ethyl 2-anilino-1,3-thiazole-4-carboxylate
CID 15053537
ethyl 2-[[2-(4-methylphenyl)acetyl]amino]-1,3-thiazole-4-carboxylate
CID 43951121
ethyl 4-[[2-(3-phenylpropanoylamino)-1,3-thiazole-4-carbonyl]amino]benzoate
CID 84550864
ethyl 2-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]-1,3-thiazole-4-carboxylate
CID 112794499
ethyl 2-(1-benzofuran-2-carbonylamino)-1,3-thiazole-4-carboxylate
CID 2308234
ethyl 2-[3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]propanoylamino]-1,3-thiazole-4-carboxylate
CID 124863935
ethyl 2-[[2-(3-naphthalen-2-yl-6-oxopyridazin-1-yl)acetyl]amino]-1,3-thiazole-4-carboxylate
CID 121051376
3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 840341
ethyl 2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-1,3-thiazole-4-carboxylate
CID 16952741

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(5-phenyl-1H-pyrrol-2-yl)propanoylamino]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[3-(5-phenyl-1H-pyrrol-2-yl)propanoylamino]-1,3-thiazole-4-carboxylate (CID 55985130) is ethyl 2-[3-(5-phenyl-1H-pyrrol-2-yl)propanoylamino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[3-(5-phenyl-1H-pyrrol-2-yl)propanoylamino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[3-(5-phenyl-1H-pyrrol-2-yl)propanoylamino]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(NC(=O)CCc2ccc(-c3ccccc3)[nH]2)n1.
What is the InChIKey of ethyl 2-[3-(5-phenyl-1H-pyrrol-2-yl)propanoylamino]-1,3-thiazole-4-carboxylate?
The InChIKey is FOTZGWDXQJDGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-2-25-18(24)16-12-26-19(21-16)22-17(23)11-9-14-8-10-15(20-14)13-6-4-3-5-7-13/h3-8,10,12,20H,2,9,11H2,1H3,(H,21,22,23).
What are the key properties of ethyl 2-[3-(5-phenyl-1H-pyrrol-2-yl)propanoylamino]-1,3-thiazole-4-carboxylate?
ethyl 2-[3-(5-phenyl-1H-pyrrol-2-yl)propanoylamino]-1,3-thiazole-4-carboxylate has a molecular weight of 369.45 g/mol, XLogP of 3.89, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(5-phenyl-1H-pyrrol-2-yl)propanoylamino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 55985130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).