(5E)-3-(2-morpholin-4-yl-2-oxoethyl)-5-[(2-phenylmethoxynaphthalen-1-yl)methylidene]-1,3-thiazolidine-2,4-dione

C27H24N2O5S — CID 124665778

IUPAC(5E)-3-(2-morpholin-4-yl-2-oxoethyl)-5-[(2-phenylmethoxynaphthalen-1-yl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C(CN1C(=O)S/C(=C/c2c(OCc3ccccc3)ccc3ccccc23)C1=O)N1CCOCC1
InChIInChI=1S/C27H24N2O5S/c30-25(28-12-14-33-15-13-28)17-29-26(31)24(35-27(29)32)16-22-21-9-5-4-8-20(21)10-11-23(22)34-18-19-6-2-1-3-7-19/h1-11,16H,12-15,17-18H2/b24-16+
InChIKeyFBVIBJJKKOYUAS-LFVJCYFKSA-N
MW488.57 g/mol
LogP4.31
Rot. Bonds6

About (5E)-3-(2-morpholin-4-yl-2-oxoethyl)-5-[(2-phenylmethoxynaphthalen-1-yl)methylidene]-1,3-thiazolidine-2,4-dione

(5E)-3-(2-morpholin-4-yl-2-oxoethyl)-5-[(2-phenylmethoxynaphthalen-1-yl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 124665778) has the molecular formula C27H24N2O5S and a molecular weight of 488.57 g/mol. Its IUPAC name is (5E)-3-(2-morpholin-4-yl-2-oxoethyl)-5-[(2-phenylmethoxynaphthalen-1-yl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-3-(2-morpholin-4-yl-2-oxoethyl)-5-[(2-phenylmethoxynaphthalen-1-yl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID124665778
Molecular FormulaC27H24N2O5S
Molecular Weight488.57 g/mol
Exact Mass488.14
IUPAC Name(5E)-3-(2-morpholin-4-yl-2-oxoethyl)-5-[(2-phenylmethoxynaphthalen-1-yl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C(CN1C(=O)S/C(=C/c2c(OCc3ccccc3)ccc3ccccc23)C1=O)N1CCOCC1
InChIInChI=1S/C27H24N2O5S/c30-25(28-12-14-33-15-13-28)17-29-26(31)24(35-27(29)32)16-22-21-9-5-4-8-20(21)10-11-23(22)34-18-19-6-2-1-3-7-19/h1-11,16H,12-15,17-18H2/b24-16+
InChIKeyFBVIBJJKKOYUAS-LFVJCYFKSA-N
XLogP4.31
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.57
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_B(16)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

(5E)-5-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione
CID 124664145
(5E)-5-[(3-ethoxy-5-iodo-4-phenylmethoxyphenyl)methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione
CID 124664131
(5E)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-5-[(2-prop-2-ynoxynaphthalen-1-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 126019540
(5E)-5-[(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione
CID 124664029
(5E)-5-[[3-iodo-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione
CID 126145947
(5E)-5-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione
CID 126129531
[(2R)-butan-2-yl] 2-[(5E)-2,4-dioxo-5-[(2-phenylmethoxynaphthalen-1-yl)methylidene]-1,3-thiazolidin-3-yl]acetate
CID 126209408
N-(2-bromophenyl)-2-[(5E)-2,4-dioxo-5-[(2-phenylmethoxynaphthalen-1-yl)methylidene]-1,3-thiazolidin-3-yl]acetamide
CID 126348892
4-[[1-[(E)-[2,4-dioxo-3-(3-phenylpropyl)-1,3-thiazolidin-5-ylidene]methyl]naphthalen-2-yl]oxymethyl]benzoic acid
CID 126138539
N-(4-chlorophenyl)-2-[(5E)-2,4-dioxo-5-[(2-phenylmethoxynaphthalen-1-yl)methylidene]-1,3-thiazolidin-3-yl]acetamide
CID 126161702
(5E)-5-[[3-ethoxy-5-iodo-4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione
CID 126139265
(5E)-5-[[2-bromo-5-ethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylidene]-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-2,4-dione
CID 126140622

Frequently Asked Questions

What is the IUPAC name of (5E)-3-(2-morpholin-4-yl-2-oxoethyl)-5-[(2-phenylmethoxynaphthalen-1-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-3-(2-morpholin-4-yl-2-oxoethyl)-5-[(2-phenylmethoxynaphthalen-1-yl)methylidene]-1,3-thiazolidine-2,4-dione (CID 124665778) is (5E)-3-(2-morpholin-4-yl-2-oxoethyl)-5-[(2-phenylmethoxynaphthalen-1-yl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-3-(2-morpholin-4-yl-2-oxoethyl)-5-[(2-phenylmethoxynaphthalen-1-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-3-(2-morpholin-4-yl-2-oxoethyl)-5-[(2-phenylmethoxynaphthalen-1-yl)methylidene]-1,3-thiazolidine-2,4-dione is O=C(CN1C(=O)S/C(=C/c2c(OCc3ccccc3)ccc3ccccc23)C1=O)N1CCOCC1.
What is the InChIKey of (5E)-3-(2-morpholin-4-yl-2-oxoethyl)-5-[(2-phenylmethoxynaphthalen-1-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is FBVIBJJKKOYUAS-LFVJCYFKSA-N. The full InChI is InChI=1S/C27H24N2O5S/c30-25(28-12-14-33-15-13-28)17-29-26(31)24(35-27(29)32)16-22-21-9-5-4-8-20(21)10-11-23(22)34-18-19-6-2-1-3-7-19/h1-11,16H,12-15,17-18H2/b24-16+.
What are the key properties of (5E)-3-(2-morpholin-4-yl-2-oxoethyl)-5-[(2-phenylmethoxynaphthalen-1-yl)methylidene]-1,3-thiazolidine-2,4-dione?
(5E)-3-(2-morpholin-4-yl-2-oxoethyl)-5-[(2-phenylmethoxynaphthalen-1-yl)methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 488.57 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-(2-morpholin-4-yl-2-oxoethyl)-5-[(2-phenylmethoxynaphthalen-1-yl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 124665778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).