ethyl 5-[[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]thiadiazole-4-carboxylate

C18H20N4O6S — CID 55643192

IUPACethyl 5-[[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]thiadiazole-4-carboxylate
SMILESCCOC(=O)c1nnsc1NC(=O)C1CC(=O)N(c2ccc(OC)c(OC)c2)C1
InChIInChI=1S/C18H20N4O6S/c1-4-28-18(25)15-17(29-21-20-15)19-16(24)10-7-14(23)22(9-10)11-5-6-12(26-2)13(8-11)27-3/h5-6,8,10H,4,7,9H2,1-3H3,(H,19,24)
InChIKeySTFUJPIBODGSKC-UHFFFAOYSA-N
MW420.45 g/mol
LogP1.72
Rot. Bonds7

About ethyl 5-[[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]thiadiazole-4-carboxylate

ethyl 5-[[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]thiadiazole-4-carboxylate (PubChem CID 55643192) has the molecular formula C18H20N4O6S and a molecular weight of 420.45 g/mol. Its IUPAC name is ethyl 5-[[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]thiadiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]thiadiazole-4-carboxylate
PubChem CID55643192
Molecular FormulaC18H20N4O6S
Molecular Weight420.45 g/mol
Exact Mass420.11
IUPAC Nameethyl 5-[[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]thiadiazole-4-carboxylate
SMILESCCOC(=O)c1nnsc1NC(=O)C1CC(=O)N(c2ccc(OC)c(OC)c2)C1
InChIInChI=1S/C18H20N4O6S/c1-4-28-18(25)15-17(29-21-20-15)19-16(24)10-7-14(23)22(9-10)11-5-6-12(26-2)13(8-11)27-3/h5-6,8,10H,4,7,9H2,1-3H3,(H,19,24)
InChIKeySTFUJPIBODGSKC-UHFFFAOYSA-N
XLogP1.72
TPSA119.95 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.45
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze ethyl 5-[[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]thiadiazole-4-carboxylate with MolForge

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Related Compounds

methyl 5-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]thiadiazole-4-carboxylate
CID 29131913
1-(3,4-dimethoxyphenyl)-5-oxo-N-pentan-3-ylpyrrolidine-3-carboxamide
CID 134060426
1-(3,4-dimethoxyphenyl)-N-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55573632
(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 7378519
1-(3,4-dimethoxyphenyl)-N-(3,4-dipropoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55573017
1-(3,4-dimethoxyphenyl)-N-(5-fluoro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 134060422
1-(3,4-dimethoxyphenyl)-5-oxo-N-[4-(pyridin-4-ylmethyl)phenyl]pyrrolidine-3-carboxamide
CID 46578301
ethyl 2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 6493237
1-(3,4-dimethoxyphenyl)-N-(4,4-dimethylpentyl)-5-oxopyrrolidine-3-carboxamide
CID 110421719
methyl 4-chloro-3-[[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 42949120
(3R)-N-(4-ethoxy-3-methoxyphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9102375
N-(3-acetamidopropyl)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 110630800

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]thiadiazole-4-carboxylate?
The IUPAC name of ethyl 5-[[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]thiadiazole-4-carboxylate (CID 55643192) is ethyl 5-[[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]thiadiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]thiadiazole-4-carboxylate?
The canonical SMILES for ethyl 5-[[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]thiadiazole-4-carboxylate is CCOC(=O)c1nnsc1NC(=O)C1CC(=O)N(c2ccc(OC)c(OC)c2)C1.
What is the InChIKey of ethyl 5-[[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]thiadiazole-4-carboxylate?
The InChIKey is STFUJPIBODGSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O6S/c1-4-28-18(25)15-17(29-21-20-15)19-16(24)10-7-14(23)22(9-10)11-5-6-12(26-2)13(8-11)27-3/h5-6,8,10H,4,7,9H2,1-3H3,(H,19,24).
What are the key properties of ethyl 5-[[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]thiadiazole-4-carboxylate?
ethyl 5-[[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]thiadiazole-4-carboxylate has a molecular weight of 420.45 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]thiadiazole-4-carboxylate is sourced from PubChem (CID 55643192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).