(2Z)-2-cyano-2-[(5E)-3-ethyl-4-oxo-5-[[3-(2-pyrrolidin-1-ylethoxy)anilino]methylidene]-1,3-thiazolidin-2-ylidene]-N-prop-2-enylacetamide

C24H29N5O3S — CID 58796312

IUPAC(2Z)-2-cyano-2-[(5E)-3-ethyl-4-oxo-5-[[3-(2-pyrrolidin-1-ylethoxy)anilino]methylidene]-1,3-thiazolidin-2-ylidene]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)/C(C#N)=c1\s/c(=C/Nc2cccc(OCCN3CCCC3)c2)c(=O)n1CC
InChIInChI=1S/C24H29N5O3S/c1-3-10-26-22(30)20(16-25)24-29(4-2)23(31)21(33-24)17-27-18-8-7-9-19(15-18)32-14-13-28-11-5-6-12-28/h3,7-9,15,17,27H,1,4-6,10-14H2,2H3,(H,26,30)/b21-17+,24-20-
InChIKeyMSRPAISQXQNTFK-NUZSGKLHSA-N
MW467.60 g/mol
LogP1.23
Rot. Bonds10

About (2Z)-2-cyano-2-[(5E)-3-ethyl-4-oxo-5-[[3-(2-pyrrolidin-1-ylethoxy)anilino]methylidene]-1,3-thiazolidin-2-ylidene]-N-prop-2-enylacetamide

(2Z)-2-cyano-2-[(5E)-3-ethyl-4-oxo-5-[[3-(2-pyrrolidin-1-ylethoxy)anilino]methylidene]-1,3-thiazolidin-2-ylidene]-N-prop-2-enylacetamide (PubChem CID 58796312) has the molecular formula C24H29N5O3S and a molecular weight of 467.60 g/mol. Its IUPAC name is (2Z)-2-cyano-2-[(5E)-3-ethyl-4-oxo-5-[[3-(2-pyrrolidin-1-ylethoxy)anilino]methylidene]-1,3-thiazolidin-2-ylidene]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name(2Z)-2-cyano-2-[(5E)-3-ethyl-4-oxo-5-[[3-(2-pyrrolidin-1-ylethoxy)anilino]methylidene]-1,3-thiazolidin-2-ylidene]-N-prop-2-enylacetamide
PubChem CID58796312
Molecular FormulaC24H29N5O3S
Molecular Weight467.60 g/mol
Exact Mass467.20
IUPAC Name(2Z)-2-cyano-2-[(5E)-3-ethyl-4-oxo-5-[[3-(2-pyrrolidin-1-ylethoxy)anilino]methylidene]-1,3-thiazolidin-2-ylidene]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)/C(C#N)=c1\s/c(=C/Nc2cccc(OCCN3CCCC3)c2)c(=O)n1CC
InChIInChI=1S/C24H29N5O3S/c1-3-10-26-22(30)20(16-25)24-29(4-2)23(31)21(33-24)17-27-18-8-7-9-19(15-18)32-14-13-28-11-5-6-12-28/h3,7-9,15,17,27H,1,4-6,10-14H2,2H3,(H,26,30)/b21-17+,24-20-
InChIKeyMSRPAISQXQNTFK-NUZSGKLHSA-N
XLogP1.23
TPSA99.39 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.60
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-cyano-2-[(5E)-3-ethyl-4-oxo-5-[[3-(2-pyrrolidin-1-ylethoxy)anilino]methylidene]-1,3-thiazolidin-2-ylidene]-N-prop-2-enylacetamide?
The IUPAC name of (2Z)-2-cyano-2-[(5E)-3-ethyl-4-oxo-5-[[3-(2-pyrrolidin-1-ylethoxy)anilino]methylidene]-1,3-thiazolidin-2-ylidene]-N-prop-2-enylacetamide (CID 58796312) is (2Z)-2-cyano-2-[(5E)-3-ethyl-4-oxo-5-[[3-(2-pyrrolidin-1-ylethoxy)anilino]methylidene]-1,3-thiazolidin-2-ylidene]-N-prop-2-enylacetamide.
What is the SMILES notation for (2Z)-2-cyano-2-[(5E)-3-ethyl-4-oxo-5-[[3-(2-pyrrolidin-1-ylethoxy)anilino]methylidene]-1,3-thiazolidin-2-ylidene]-N-prop-2-enylacetamide?
The canonical SMILES for (2Z)-2-cyano-2-[(5E)-3-ethyl-4-oxo-5-[[3-(2-pyrrolidin-1-ylethoxy)anilino]methylidene]-1,3-thiazolidin-2-ylidene]-N-prop-2-enylacetamide is C=CCNC(=O)/C(C#N)=c1\s/c(=C/Nc2cccc(OCCN3CCCC3)c2)c(=O)n1CC.
What is the InChIKey of (2Z)-2-cyano-2-[(5E)-3-ethyl-4-oxo-5-[[3-(2-pyrrolidin-1-ylethoxy)anilino]methylidene]-1,3-thiazolidin-2-ylidene]-N-prop-2-enylacetamide?
The InChIKey is MSRPAISQXQNTFK-NUZSGKLHSA-N. The full InChI is InChI=1S/C24H29N5O3S/c1-3-10-26-22(30)20(16-25)24-29(4-2)23(31)21(33-24)17-27-18-8-7-9-19(15-18)32-14-13-28-11-5-6-12-28/h3,7-9,15,17,27H,1,4-6,10-14H2,2H3,(H,26,30)/b21-17+,24-20-.
What are the key properties of (2Z)-2-cyano-2-[(5E)-3-ethyl-4-oxo-5-[[3-(2-pyrrolidin-1-ylethoxy)anilino]methylidene]-1,3-thiazolidin-2-ylidene]-N-prop-2-enylacetamide?
(2Z)-2-cyano-2-[(5E)-3-ethyl-4-oxo-5-[[3-(2-pyrrolidin-1-ylethoxy)anilino]methylidene]-1,3-thiazolidin-2-ylidene]-N-prop-2-enylacetamide has a molecular weight of 467.60 g/mol, XLogP of 1.23, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-cyano-2-[(5E)-3-ethyl-4-oxo-5-[[3-(2-pyrrolidin-1-ylethoxy)anilino]methylidene]-1,3-thiazolidin-2-ylidene]-N-prop-2-enylacetamide is sourced from PubChem (CID 58796312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).