benzyl (2Z)-2-[(5Z)-5-(ethoxymethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]acetate

C17H19NO4S — CID 71213938

IUPACbenzyl (2Z)-2-[(5Z)-5-(ethoxymethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]acetate
SMILESCCO/C=c1\s/c(=C\C(=O)OCc2ccccc2)n(CC)c1=O
InChIInChI=1S/C17H19NO4S/c1-3-18-15(23-14(17(18)20)12-21-4-2)10-16(19)22-11-13-8-6-5-7-9-13/h5-10,12H,3-4,11H2,1-2H3/b14-12-,15-10-
InChIKeyMJPJKTJUOATJJT-QGCITPDBSA-N
MW333.41 g/mol
LogP1.23
Rot. Bonds6

About benzyl (2Z)-2-[(5Z)-5-(ethoxymethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]acetate

benzyl (2Z)-2-[(5Z)-5-(ethoxymethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]acetate (PubChem CID 71213938) has the molecular formula C17H19NO4S and a molecular weight of 333.41 g/mol. Its IUPAC name is benzyl (2Z)-2-[(5Z)-5-(ethoxymethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]acetate.

Molecular Properties

Compound Namebenzyl (2Z)-2-[(5Z)-5-(ethoxymethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]acetate
PubChem CID71213938
Molecular FormulaC17H19NO4S
Molecular Weight333.41 g/mol
Exact Mass333.10
IUPAC Namebenzyl (2Z)-2-[(5Z)-5-(ethoxymethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]acetate
SMILESCCO/C=c1\s/c(=C\C(=O)OCc2ccccc2)n(CC)c1=O
InChIInChI=1S/C17H19NO4S/c1-3-18-15(23-14(17(18)20)12-21-4-2)10-16(19)22-11-13-8-6-5-7-9-13/h5-10,12H,3-4,11H2,1-2H3/b14-12-,15-10-
InChIKeyMJPJKTJUOATJJT-QGCITPDBSA-N
XLogP1.23
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of benzyl (2Z)-2-[(5Z)-5-(ethoxymethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]acetate?
The IUPAC name of benzyl (2Z)-2-[(5Z)-5-(ethoxymethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]acetate (CID 71213938) is benzyl (2Z)-2-[(5Z)-5-(ethoxymethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]acetate.
What is the SMILES notation for benzyl (2Z)-2-[(5Z)-5-(ethoxymethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]acetate?
The canonical SMILES for benzyl (2Z)-2-[(5Z)-5-(ethoxymethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]acetate is CCO/C=c1\s/c(=C\C(=O)OCc2ccccc2)n(CC)c1=O.
What is the InChIKey of benzyl (2Z)-2-[(5Z)-5-(ethoxymethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]acetate?
The InChIKey is MJPJKTJUOATJJT-QGCITPDBSA-N. The full InChI is InChI=1S/C17H19NO4S/c1-3-18-15(23-14(17(18)20)12-21-4-2)10-16(19)22-11-13-8-6-5-7-9-13/h5-10,12H,3-4,11H2,1-2H3/b14-12-,15-10-.
What are the key properties of benzyl (2Z)-2-[(5Z)-5-(ethoxymethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]acetate?
benzyl (2Z)-2-[(5Z)-5-(ethoxymethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]acetate has a molecular weight of 333.41 g/mol, XLogP of 1.23, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2Z)-2-[(5Z)-5-(ethoxymethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]acetate is sourced from PubChem (CID 71213938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).