ethyl 5-ethyl-2-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]thiophene-3-carboxylate

C20H20N2O3S2 — CID 18075486

IUPACethyl 5-ethyl-2-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(CC)sc1NC(=O)Cc1csc(-c2ccccc2)n1
InChIInChI=1S/C20H20N2O3S2/c1-3-15-11-16(20(24)25-4-2)19(27-15)22-17(23)10-14-12-26-18(21-14)13-8-6-5-7-9-13/h5-9,11-12H,3-4,10H2,1-2H3,(H,22,23)
InChIKeyKKIAZKSEYHXBBT-UHFFFAOYSA-N
MW400.53 g/mol
LogP4.79
Rot. Bonds7

About ethyl 5-ethyl-2-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]thiophene-3-carboxylate

ethyl 5-ethyl-2-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]thiophene-3-carboxylate (PubChem CID 18075486) has the molecular formula C20H20N2O3S2 and a molecular weight of 400.53 g/mol. Its IUPAC name is ethyl 5-ethyl-2-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-ethyl-2-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]thiophene-3-carboxylate
PubChem CID18075486
Molecular FormulaC20H20N2O3S2
Molecular Weight400.53 g/mol
Exact Mass400.09
IUPAC Nameethyl 5-ethyl-2-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(CC)sc1NC(=O)Cc1csc(-c2ccccc2)n1
InChIInChI=1S/C20H20N2O3S2/c1-3-15-11-16(20(24)25-4-2)19(27-15)22-17(23)10-14-12-26-18(21-14)13-8-6-5-7-9-13/h5-9,11-12H,3-4,10H2,1-2H3,(H,22,23)
InChIKeyKKIAZKSEYHXBBT-UHFFFAOYSA-N
XLogP4.79
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 5-ethyl-2-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]thiophene-3-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

ethyl 5-ethyl-2-[[2-(5-oxo-3-phenyl-1,2,4-oxadiazol-4-yl)acetyl]amino]thiophene-3-carboxylate
CID 60589909
ethyl 5-ethyl-2-[[2-(methylamino)acetyl]amino]thiophene-3-carboxylate
CID 60648647
ethyl 5-[[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]thiadiazole-4-carboxylate
CID 55671121
ethyl 2-[[2-(2-chlorobenzoyl)oxyacetyl]amino]-5-ethylthiophene-3-carboxylate
CID 7476981
ethyl 5-ethyl-2-[[2-(2-phenoxyacetyl)oxyacetyl]amino]thiophene-3-carboxylate
CID 7696881
2-(2-phenyl-1,3-thiazol-4-yl)acetohydrazide
CID 2740630
N-(3-cyano-5-ethylthiophen-2-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 55904917
N-(5-methyl-1,3-thiazol-2-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 17455112
methyl 4-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]benzoate
CID 4794716
ethyl 5-ethyl-2-[[2-[2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]acetyl]oxyacetyl]amino]thiophene-3-carboxylate
CID 55403403
ethyl 2-[[2-[2-(benzylcarbamoylamino)acetyl]oxyacetyl]amino]-5-ethylthiophene-3-carboxylate
CID 46660647
ethyl 5-ethyl-2-[[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate
CID 19644060

Frequently Asked Questions

What is the IUPAC name of ethyl 5-ethyl-2-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 5-ethyl-2-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]thiophene-3-carboxylate (CID 18075486) is ethyl 5-ethyl-2-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 5-ethyl-2-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 5-ethyl-2-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]thiophene-3-carboxylate is CCOC(=O)c1cc(CC)sc1NC(=O)Cc1csc(-c2ccccc2)n1.
What is the InChIKey of ethyl 5-ethyl-2-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]thiophene-3-carboxylate?
The InChIKey is KKIAZKSEYHXBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S2/c1-3-15-11-16(20(24)25-4-2)19(27-15)22-17(23)10-14-12-26-18(21-14)13-8-6-5-7-9-13/h5-9,11-12H,3-4,10H2,1-2H3,(H,22,23).
What are the key properties of ethyl 5-ethyl-2-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]thiophene-3-carboxylate?
ethyl 5-ethyl-2-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]thiophene-3-carboxylate has a molecular weight of 400.53 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-ethyl-2-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 18075486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).