(2Z)-2-[5-(anilinomethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-butyl-2-cyano-N-methylacetamide

C20H24N4O2S — CID 71207823

IUPAC(2Z)-2-[5-(anilinomethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-butyl-2-cyano-N-methylacetamide
SMILESCCCCN(C)C(=O)/C(C#N)=c1\sc(=CNc2ccccc2)c(=O)n1CC
InChIInChI=1S/C20H24N4O2S/c1-4-6-12-23(3)18(25)16(13-21)20-24(5-2)19(26)17(27-20)14-22-15-10-8-7-9-11-15/h7-11,14,22H,4-6,12H2,1-3H3/b17-14?,20-16-
InChIKeyWBCNNEHLERAWBL-OZAQDNEUSA-N
MW384.51 g/mol
LogP1.71
Rot. Bonds7

About (2Z)-2-[5-(anilinomethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-butyl-2-cyano-N-methylacetamide

(2Z)-2-[5-(anilinomethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-butyl-2-cyano-N-methylacetamide (PubChem CID 71207823) has the molecular formula C20H24N4O2S and a molecular weight of 384.51 g/mol. Its IUPAC name is (2Z)-2-[5-(anilinomethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-butyl-2-cyano-N-methylacetamide.

Molecular Properties

Compound Name(2Z)-2-[5-(anilinomethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-butyl-2-cyano-N-methylacetamide
PubChem CID71207823
Molecular FormulaC20H24N4O2S
Molecular Weight384.51 g/mol
Exact Mass384.16
IUPAC Name(2Z)-2-[5-(anilinomethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-butyl-2-cyano-N-methylacetamide
SMILESCCCCN(C)C(=O)/C(C#N)=c1\sc(=CNc2ccccc2)c(=O)n1CC
InChIInChI=1S/C20H24N4O2S/c1-4-6-12-23(3)18(25)16(13-21)20-24(5-2)19(26)17(27-20)14-22-15-10-8-7-9-11-15/h7-11,14,22H,4-6,12H2,1-3H3/b17-14?,20-16-
InChIKeyWBCNNEHLERAWBL-OZAQDNEUSA-N
XLogP1.71
TPSA78.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[5-(anilinomethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-butyl-2-cyano-N-methylacetamide?
The IUPAC name of (2Z)-2-[5-(anilinomethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-butyl-2-cyano-N-methylacetamide (CID 71207823) is (2Z)-2-[5-(anilinomethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-butyl-2-cyano-N-methylacetamide.
What is the SMILES notation for (2Z)-2-[5-(anilinomethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-butyl-2-cyano-N-methylacetamide?
The canonical SMILES for (2Z)-2-[5-(anilinomethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-butyl-2-cyano-N-methylacetamide is CCCCN(C)C(=O)/C(C#N)=c1\sc(=CNc2ccccc2)c(=O)n1CC.
What is the InChIKey of (2Z)-2-[5-(anilinomethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-butyl-2-cyano-N-methylacetamide?
The InChIKey is WBCNNEHLERAWBL-OZAQDNEUSA-N. The full InChI is InChI=1S/C20H24N4O2S/c1-4-6-12-23(3)18(25)16(13-21)20-24(5-2)19(26)17(27-20)14-22-15-10-8-7-9-11-15/h7-11,14,22H,4-6,12H2,1-3H3/b17-14?,20-16-.
What are the key properties of (2Z)-2-[5-(anilinomethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-butyl-2-cyano-N-methylacetamide?
(2Z)-2-[5-(anilinomethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-butyl-2-cyano-N-methylacetamide has a molecular weight of 384.51 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[5-(anilinomethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-butyl-2-cyano-N-methylacetamide is sourced from PubChem (CID 71207823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).