(5Z)-5-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-3-(naphthalen-2-ylmethyl)-1,3-thiazolidine-2,4-dione

C29H23NO4S — CID 6263293

IUPAC(5Z)-5-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-3-(naphthalen-2-ylmethyl)-1,3-thiazolidine-2,4-dione
SMILESCOc1cc(/C=C2\SC(=O)N(Cc3ccc4ccccc4c3)C2=O)ccc1OCc1ccccc1
InChIInChI=1S/C29H23NO4S/c1-33-26-16-21(12-14-25(26)34-19-20-7-3-2-4-8-20)17-27-28(31)30(29(32)35-27)18-22-11-13-23-9-5-6-10-24(23)15-22/h2-17H,18-19H2,1H3/b27-17-
InChIKeySHBLYFAIMKNYFX-PKAZHMFMSA-N
MW481.57 g/mol
LogP6.66
Rot. Bonds7

About (5Z)-5-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-3-(naphthalen-2-ylmethyl)-1,3-thiazolidine-2,4-dione

(5Z)-5-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-3-(naphthalen-2-ylmethyl)-1,3-thiazolidine-2,4-dione (PubChem CID 6263293) has the molecular formula C29H23NO4S and a molecular weight of 481.57 g/mol. Its IUPAC name is (5Z)-5-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-3-(naphthalen-2-ylmethyl)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-3-(naphthalen-2-ylmethyl)-1,3-thiazolidine-2,4-dione
PubChem CID6263293
Molecular FormulaC29H23NO4S
Molecular Weight481.57 g/mol
Exact Mass481.13
IUPAC Name(5Z)-5-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-3-(naphthalen-2-ylmethyl)-1,3-thiazolidine-2,4-dione
SMILESCOc1cc(/C=C2\SC(=O)N(Cc3ccc4ccccc4c3)C2=O)ccc1OCc1ccccc1
InChIInChI=1S/C29H23NO4S/c1-33-26-16-21(12-14-25(26)34-19-20-7-3-2-4-8-20)17-27-28(31)30(29(32)35-27)18-22-11-13-23-9-5-6-10-24(23)15-22/h2-17H,18-19H2,1H3/b27-17-
InChIKeySHBLYFAIMKNYFX-PKAZHMFMSA-N
XLogP6.66
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.57
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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-(naphthalen-1-ylmethyl)-1,3-thiazolidine-2,4-dione
CID 21376471
(5E)-3-benzyl-5-[[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 124662890
(5E)-5-[[3-ethoxy-4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-3-[(4-iodophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 124642516
propan-2-yl 2-[(5E)-5-[[3-methoxy-4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
CID 126100257
(5E)-3-benzyl-5-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 124644362
5-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione
CID 3481793
(5E)-5-[[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidine-2,4-dione
CID 21376575
(5E)-3-(4-chlorophenyl)-5-[[3-methoxy-4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 126198028
2-[4-[(3-benzyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenoxy]acetic acid
CID 4004984
5-[[4-[(4-iodophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-[(3-nitrophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 3922976
(5Z)-3-benzyl-5-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2195740
(5Z)-5-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-3-[(4-methylphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 27046874

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-3-(naphthalen-2-ylmethyl)-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-3-(naphthalen-2-ylmethyl)-1,3-thiazolidine-2,4-dione (CID 6263293) is (5Z)-5-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-3-(naphthalen-2-ylmethyl)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-3-(naphthalen-2-ylmethyl)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-3-(naphthalen-2-ylmethyl)-1,3-thiazolidine-2,4-dione is COc1cc(/C=C2\SC(=O)N(Cc3ccc4ccccc4c3)C2=O)ccc1OCc1ccccc1.
What is the InChIKey of (5Z)-5-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-3-(naphthalen-2-ylmethyl)-1,3-thiazolidine-2,4-dione?
The InChIKey is SHBLYFAIMKNYFX-PKAZHMFMSA-N. The full InChI is InChI=1S/C29H23NO4S/c1-33-26-16-21(12-14-25(26)34-19-20-7-3-2-4-8-20)17-27-28(31)30(29(32)35-27)18-22-11-13-23-9-5-6-10-24(23)15-22/h2-17H,18-19H2,1H3/b27-17-.
What are the key properties of (5Z)-5-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-3-(naphthalen-2-ylmethyl)-1,3-thiazolidine-2,4-dione?
(5Z)-5-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-3-(naphthalen-2-ylmethyl)-1,3-thiazolidine-2,4-dione has a molecular weight of 481.57 g/mol, XLogP of 6.66, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-3-(naphthalen-2-ylmethyl)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 6263293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).