4-[5-[(Z)-(3-benzyl-2-methylidene-4-oxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoic acid

C23H17NO4S — CID 118012649

IUPAC4-[5-[(Z)-(3-benzyl-2-methylidene-4-oxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoic acid
SMILESC=c1s/c(=C\c2ccc(-c3ccc(C(=O)O)cc3)o2)c(=O)n1Cc1ccccc1
InChIInChI=1S/C23H17NO4S/c1-15-24(14-16-5-3-2-4-6-16)22(25)21(29-15)13-19-11-12-20(28-19)17-7-9-18(10-8-17)23(26)27/h2-13H,1,14H2,(H,26,27)/b21-13-
InChIKeyLNKANNXEGLSRLD-BKUYFWCQSA-N
MW403.46 g/mol
LogP3.16
Rot. Bonds5

About 4-[5-[(Z)-(3-benzyl-2-methylidene-4-oxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoic acid

4-[5-[(Z)-(3-benzyl-2-methylidene-4-oxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoic acid (PubChem CID 118012649) has the molecular formula C23H17NO4S and a molecular weight of 403.46 g/mol. Its IUPAC name is 4-[5-[(Z)-(3-benzyl-2-methylidene-4-oxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoic acid.

Molecular Properties

Compound Name4-[5-[(Z)-(3-benzyl-2-methylidene-4-oxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoic acid
PubChem CID118012649
Molecular FormulaC23H17NO4S
Molecular Weight403.46 g/mol
Exact Mass403.09
IUPAC Name4-[5-[(Z)-(3-benzyl-2-methylidene-4-oxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoic acid
SMILESC=c1s/c(=C\c2ccc(-c3ccc(C(=O)O)cc3)o2)c(=O)n1Cc1ccccc1
InChIInChI=1S/C23H17NO4S/c1-15-24(14-16-5-3-2-4-6-16)22(25)21(29-15)13-19-11-12-20(28-19)17-7-9-18(10-8-17)23(26)27/h2-13H,1,14H2,(H,26,27)/b21-13-
InChIKeyLNKANNXEGLSRLD-BKUYFWCQSA-N
XLogP3.16
TPSA72.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-[(Z)-(6-oxo-2-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene)methyl]furan-2-yl]benzoic acid
CID 6196521
4-[5-[(1-benzyl-2,5-dioxoimidazolidin-4-ylidene)methyl]furan-2-yl]benzoic acid
CID 146482864
4-[5-[(Z)-[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoic acid
CID 11719044
4-[5-[(Z)-(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoic acid;2-chloro-5-[5-[(Z)-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoic acid;4-[5-[(Z)-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoic acid;methane;4-[5-[(Z)-(2-methylidene-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoic acid;4-[5-[(Z)-[3-[(4-methylphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoic acid
CID 160806296
4-[5-[[2-[(4-bromophenoxy)methyl]-6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene]methyl]furan-2-yl]benzoic acid
CID 4709985
(5Z)-2-phenyl-5-[(5-phenylfuran-2-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 7454576
4-[5-[[3-[(3-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoic acid
CID 135187634
3-[5-[(E)-[(2E)-1-benzyl-2-ethylidene-4,6-dioxo-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoic acid
CID 143088637
4-[5-[(E)-[3-(carboxymethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoic acid
CID 126130199
4-[5-[(2,4-dioxo-3-prop-2-enyl-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoic acid
CID 1210485
4-[5-[[2-[1-cyano-2-(furan-2-ylmethylamino)-2-oxoethylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoic acid
CID 4710033
acetic acid;pentakis((2E)-2-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione)
CID 163330282

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(Z)-(3-benzyl-2-methylidene-4-oxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoic acid?
The IUPAC name of 4-[5-[(Z)-(3-benzyl-2-methylidene-4-oxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoic acid (CID 118012649) is 4-[5-[(Z)-(3-benzyl-2-methylidene-4-oxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoic acid.
What is the SMILES notation for 4-[5-[(Z)-(3-benzyl-2-methylidene-4-oxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoic acid?
The canonical SMILES for 4-[5-[(Z)-(3-benzyl-2-methylidene-4-oxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoic acid is C=c1s/c(=C\c2ccc(-c3ccc(C(=O)O)cc3)o2)c(=O)n1Cc1ccccc1.
What is the InChIKey of 4-[5-[(Z)-(3-benzyl-2-methylidene-4-oxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoic acid?
The InChIKey is LNKANNXEGLSRLD-BKUYFWCQSA-N. The full InChI is InChI=1S/C23H17NO4S/c1-15-24(14-16-5-3-2-4-6-16)22(25)21(29-15)13-19-11-12-20(28-19)17-7-9-18(10-8-17)23(26)27/h2-13H,1,14H2,(H,26,27)/b21-13-.
What are the key properties of 4-[5-[(Z)-(3-benzyl-2-methylidene-4-oxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoic acid?
4-[5-[(Z)-(3-benzyl-2-methylidene-4-oxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoic acid has a molecular weight of 403.46 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(Z)-(3-benzyl-2-methylidene-4-oxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoic acid is sourced from PubChem (CID 118012649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).