1-cyano-2-(2-ethyl-4-oxo-1,3-thiazolidin-3-yl)-N-phenyl-5,6,7,8-tetrahydroindolizine-3-carboxamide

C21H22N4O2S — CID 155565228

IUPAC1-cyano-2-(2-ethyl-4-oxo-1,3-thiazolidin-3-yl)-N-phenyl-5,6,7,8-tetrahydroindolizine-3-carboxamide
SMILESCCC1SCC(=O)N1c1c(C#N)c2n(c1C(=O)Nc1ccccc1)CCCC2
InChIInChI=1S/C21H22N4O2S/c1-2-18-25(17(26)13-28-18)19-15(12-22)16-10-6-7-11-24(16)20(19)21(27)23-14-8-4-3-5-9-14/h3-5,8-9,18H,2,6-7,10-11,13H2,1H3,(H,23,27)
InChIKeyPFVSMDKAGZBPDX-UHFFFAOYSA-N
MW394.50 g/mol
LogP3.76
Rot. Bonds4

About 1-cyano-2-(2-ethyl-4-oxo-1,3-thiazolidin-3-yl)-N-phenyl-5,6,7,8-tetrahydroindolizine-3-carboxamide

1-cyano-2-(2-ethyl-4-oxo-1,3-thiazolidin-3-yl)-N-phenyl-5,6,7,8-tetrahydroindolizine-3-carboxamide (PubChem CID 155565228) has the molecular formula C21H22N4O2S and a molecular weight of 394.50 g/mol. Its IUPAC name is 1-cyano-2-(2-ethyl-4-oxo-1,3-thiazolidin-3-yl)-N-phenyl-5,6,7,8-tetrahydroindolizine-3-carboxamide.

Molecular Properties

Compound Name1-cyano-2-(2-ethyl-4-oxo-1,3-thiazolidin-3-yl)-N-phenyl-5,6,7,8-tetrahydroindolizine-3-carboxamide
PubChem CID155565228
Molecular FormulaC21H22N4O2S
Molecular Weight394.50 g/mol
Exact Mass394.15
IUPAC Name1-cyano-2-(2-ethyl-4-oxo-1,3-thiazolidin-3-yl)-N-phenyl-5,6,7,8-tetrahydroindolizine-3-carboxamide
SMILESCCC1SCC(=O)N1c1c(C#N)c2n(c1C(=O)Nc1ccccc1)CCCC2
InChIInChI=1S/C21H22N4O2S/c1-2-18-25(17(26)13-28-18)19-15(12-22)16-10-6-7-11-24(16)20(19)21(27)23-14-8-4-3-5-9-14/h3-5,8-9,18H,2,6-7,10-11,13H2,1H3,(H,23,27)
InChIKeyPFVSMDKAGZBPDX-UHFFFAOYSA-N
XLogP3.76
TPSA78.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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6-(2-(4-methylpiperidin-1-yl)-2-oxoethyl)-2,3-dihydrothiazolo[3',2':1,2]pyrimido[5,4-b]indol-5(6H)-one
CID 7693498
2-(6-oxo-3,4-dihydro-2H-[1,3]thiazino[3',2':1,2]pyrimido[5,4-b]indol-7(6H)-yl)-N-phenylacetamide
CID 7708789
8-(2-Oxo-2-piperidin-1-ylethyl)-14-thia-8,11,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,15-pentaen-10-one
CID 49766519
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CID 155531595
1-cyano-2-(2-ethyl-4-oxo-1,3-thiazolidin-3-yl)-N-phenyl-6,7-dihydro-5H-pyrrolizine-3-carboxamide
CID 155534811
N-(4-chlorophenyl)-1-cyano-2-(2-ethyl-4-oxo-1,3-thiazolidin-3-yl)-6,7-dihydro-5H-pyrrolizine-3-carboxamide
CID 155544451
1-cyano-N-phenyl-2-(propylideneamino)-6,7-dihydro-5H-pyrrolizine-3-carboxamide
CID 155545512
1-cyano-N-phenyl-2-(propylideneamino)-5,6,7,8-tetrahydroindolizine-3-carboxamide
CID 155553481
1-cyano-N-(4-methylphenyl)-2-(propylideneamino)-6,7-dihydro-5H-pyrrolizine-3-carboxamide
CID 155564403
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CID 164622485

Frequently Asked Questions

What is the IUPAC name of 1-cyano-2-(2-ethyl-4-oxo-1,3-thiazolidin-3-yl)-N-phenyl-5,6,7,8-tetrahydroindolizine-3-carboxamide?
The IUPAC name of 1-cyano-2-(2-ethyl-4-oxo-1,3-thiazolidin-3-yl)-N-phenyl-5,6,7,8-tetrahydroindolizine-3-carboxamide (CID 155565228) is 1-cyano-2-(2-ethyl-4-oxo-1,3-thiazolidin-3-yl)-N-phenyl-5,6,7,8-tetrahydroindolizine-3-carboxamide.
What is the SMILES notation for 1-cyano-2-(2-ethyl-4-oxo-1,3-thiazolidin-3-yl)-N-phenyl-5,6,7,8-tetrahydroindolizine-3-carboxamide?
The canonical SMILES for 1-cyano-2-(2-ethyl-4-oxo-1,3-thiazolidin-3-yl)-N-phenyl-5,6,7,8-tetrahydroindolizine-3-carboxamide is CCC1SCC(=O)N1c1c(C#N)c2n(c1C(=O)Nc1ccccc1)CCCC2.
What is the InChIKey of 1-cyano-2-(2-ethyl-4-oxo-1,3-thiazolidin-3-yl)-N-phenyl-5,6,7,8-tetrahydroindolizine-3-carboxamide?
The InChIKey is PFVSMDKAGZBPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2S/c1-2-18-25(17(26)13-28-18)19-15(12-22)16-10-6-7-11-24(16)20(19)21(27)23-14-8-4-3-5-9-14/h3-5,8-9,18H,2,6-7,10-11,13H2,1H3,(H,23,27).
What are the key properties of 1-cyano-2-(2-ethyl-4-oxo-1,3-thiazolidin-3-yl)-N-phenyl-5,6,7,8-tetrahydroindolizine-3-carboxamide?
1-cyano-2-(2-ethyl-4-oxo-1,3-thiazolidin-3-yl)-N-phenyl-5,6,7,8-tetrahydroindolizine-3-carboxamide has a molecular weight of 394.50 g/mol, XLogP of 3.76, 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-5,6,7,8-tetrahydroindolizine-3-carboxamide is sourced from PubChem (CID 155565228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).