propyl (2Z)-2-cyano-2-[(5E)-3-ethyl-5-[(4-hydroxyanilino)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate

C18H19N3O4S — CID 44579148

IUPACpropyl (2Z)-2-cyano-2-[(5E)-3-ethyl-5-[(4-hydroxyanilino)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
SMILESCCCOC(=O)/C(C#N)=c1\s/c(=C/Nc2ccc(O)cc2)c(=O)n1CC
InChIInChI=1S/C18H19N3O4S/c1-3-9-25-18(24)14(10-19)17-21(4-2)16(23)15(26-17)11-20-12-5-7-13(22)8-6-12/h5-8,11,20,22H,3-4,9H2,1-2H3/b15-11+,17-14-
InChIKeyCBSGBZLWOKWSDJ-IQOWBAITSA-N
MW373.43 g/mol
LogP1.11
Rot. Bonds6

About propyl (2Z)-2-cyano-2-[(5E)-3-ethyl-5-[(4-hydroxyanilino)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate

propyl (2Z)-2-cyano-2-[(5E)-3-ethyl-5-[(4-hydroxyanilino)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate (PubChem CID 44579148) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is propyl (2Z)-2-cyano-2-[(5E)-3-ethyl-5-[(4-hydroxyanilino)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate.

Molecular Properties

Compound Namepropyl (2Z)-2-cyano-2-[(5E)-3-ethyl-5-[(4-hydroxyanilino)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
PubChem CID44579148
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC Namepropyl (2Z)-2-cyano-2-[(5E)-3-ethyl-5-[(4-hydroxyanilino)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
SMILESCCCOC(=O)/C(C#N)=c1\s/c(=C/Nc2ccc(O)cc2)c(=O)n1CC
InChIInChI=1S/C18H19N3O4S/c1-3-9-25-18(24)14(10-19)17-21(4-2)16(23)15(26-17)11-20-12-5-7-13(22)8-6-12/h5-8,11,20,22H,3-4,9H2,1-2H3/b15-11+,17-14-
InChIKeyCBSGBZLWOKWSDJ-IQOWBAITSA-N
XLogP1.11
TPSA104.35 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of propyl (2Z)-2-cyano-2-[(5E)-3-ethyl-5-[(4-hydroxyanilino)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate?
The IUPAC name of propyl (2Z)-2-cyano-2-[(5E)-3-ethyl-5-[(4-hydroxyanilino)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate (CID 44579148) is propyl (2Z)-2-cyano-2-[(5E)-3-ethyl-5-[(4-hydroxyanilino)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate.
What is the SMILES notation for propyl (2Z)-2-cyano-2-[(5E)-3-ethyl-5-[(4-hydroxyanilino)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate?
The canonical SMILES for propyl (2Z)-2-cyano-2-[(5E)-3-ethyl-5-[(4-hydroxyanilino)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate is CCCOC(=O)/C(C#N)=c1\s/c(=C/Nc2ccc(O)cc2)c(=O)n1CC.
What is the InChIKey of propyl (2Z)-2-cyano-2-[(5E)-3-ethyl-5-[(4-hydroxyanilino)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate?
The InChIKey is CBSGBZLWOKWSDJ-IQOWBAITSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-3-9-25-18(24)14(10-19)17-21(4-2)16(23)15(26-17)11-20-12-5-7-13(22)8-6-12/h5-8,11,20,22H,3-4,9H2,1-2H3/b15-11+,17-14-.
What are the key properties of propyl (2Z)-2-cyano-2-[(5E)-3-ethyl-5-[(4-hydroxyanilino)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate?
propyl (2Z)-2-cyano-2-[(5E)-3-ethyl-5-[(4-hydroxyanilino)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate has a molecular weight of 373.43 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for propyl (2Z)-2-cyano-2-[(5E)-3-ethyl-5-[(4-hydroxyanilino)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetate is sourced from PubChem (CID 44579148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).