1-cyano-2-(2-ethyl-4-oxo-1,3-thiazolidin-3-yl)-N-phenyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide

C20H20N4O2S — CID 155534811

IUPAC1-cyano-2-(2-ethyl-4-oxo-1,3-thiazolidin-3-yl)-N-phenyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide
SMILESCCC1SCC(=O)N1c1c(C#N)c2n(c1C(=O)Nc1ccccc1)CCC2
InChIInChI=1S/C20H20N4O2S/c1-2-17-24(16(25)12-27-17)18-14(11-21)15-9-6-10-23(15)19(18)20(26)22-13-7-4-3-5-8-13/h3-5,7-8,17H,2,6,9-10,12H2,1H3,(H,22,26)
InChIKeyRRQDXVLCGBXZKN-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.37
Rot. Bonds4

About 1-cyano-2-(2-ethyl-4-oxo-1,3-thiazolidin-3-yl)-N-phenyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide

1-cyano-2-(2-ethyl-4-oxo-1,3-thiazolidin-3-yl)-N-phenyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide (PubChem CID 155534811) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is 1-cyano-2-(2-ethyl-4-oxo-1,3-thiazolidin-3-yl)-N-phenyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide.

Molecular Properties

Compound Name1-cyano-2-(2-ethyl-4-oxo-1,3-thiazolidin-3-yl)-N-phenyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide
PubChem CID155534811
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC Name1-cyano-2-(2-ethyl-4-oxo-1,3-thiazolidin-3-yl)-N-phenyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide
SMILESCCC1SCC(=O)N1c1c(C#N)c2n(c1C(=O)Nc1ccccc1)CCC2
InChIInChI=1S/C20H20N4O2S/c1-2-17-24(16(25)12-27-17)18-14(11-21)15-9-6-10-23(15)19(18)20(26)22-13-7-4-3-5-8-13/h3-5,7-8,17H,2,6,9-10,12H2,1H3,(H,22,26)
InChIKeyRRQDXVLCGBXZKN-UHFFFAOYSA-N
XLogP3.37
TPSA78.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-2-(2-ethyl-4-oxo-1,3-thiazolidin-3-yl)-N-phenyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide?
The IUPAC name of 1-cyano-2-(2-ethyl-4-oxo-1,3-thiazolidin-3-yl)-N-phenyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide (CID 155534811) is 1-cyano-2-(2-ethyl-4-oxo-1,3-thiazolidin-3-yl)-N-phenyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide.
What is the SMILES notation for 1-cyano-2-(2-ethyl-4-oxo-1,3-thiazolidin-3-yl)-N-phenyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide?
The canonical SMILES for 1-cyano-2-(2-ethyl-4-oxo-1,3-thiazolidin-3-yl)-N-phenyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide is CCC1SCC(=O)N1c1c(C#N)c2n(c1C(=O)Nc1ccccc1)CCC2.
What is the InChIKey of 1-cyano-2-(2-ethyl-4-oxo-1,3-thiazolidin-3-yl)-N-phenyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide?
The InChIKey is RRQDXVLCGBXZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S/c1-2-17-24(16(25)12-27-17)18-14(11-21)15-9-6-10-23(15)19(18)20(26)22-13-7-4-3-5-8-13/h3-5,7-8,17H,2,6,9-10,12H2,1H3,(H,22,26).
What are the key properties of 1-cyano-2-(2-ethyl-4-oxo-1,3-thiazolidin-3-yl)-N-phenyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide?
1-cyano-2-(2-ethyl-4-oxo-1,3-thiazolidin-3-yl)-N-phenyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide has a molecular weight of 380.47 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-2-(2-ethyl-4-oxo-1,3-thiazolidin-3-yl)-N-phenyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide is sourced from PubChem (CID 155534811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).