N-[(5Z)-5-[(2,7-dimethoxynaphthalen-1-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]benzamide

C23H18N2O4S — CID 137131200

IUPACN-[(5Z)-5-[(2,7-dimethoxynaphthalen-1-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]benzamide
SMILESCOc1ccc2ccc(OC)c(/C=C3\S/C(=N/C(=O)c4ccccc4)NC3=O)c2c1
InChIInChI=1S/C23H18N2O4S/c1-28-16-10-8-14-9-11-19(29-2)18(17(14)12-16)13-20-22(27)25-23(30-20)24-21(26)15-6-4-3-5-7-15/h3-13H,1-2H3,(H,24,25,26,27)/b20-13-
InChIKeyMMWPVMRJBHCAOW-MOSHPQCFSA-N
MW418.47 g/mol
LogP4.26
Rot. Bonds4

About N-[(5Z)-5-[(2,7-dimethoxynaphthalen-1-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]benzamide

N-[(5Z)-5-[(2,7-dimethoxynaphthalen-1-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]benzamide (PubChem CID 137131200) has the molecular formula C23H18N2O4S and a molecular weight of 418.47 g/mol. Its IUPAC name is N-[(5Z)-5-[(2,7-dimethoxynaphthalen-1-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]benzamide.

Molecular Properties

Compound NameN-[(5Z)-5-[(2,7-dimethoxynaphthalen-1-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]benzamide
PubChem CID137131200
Molecular FormulaC23H18N2O4S
Molecular Weight418.47 g/mol
Exact Mass418.10
IUPAC NameN-[(5Z)-5-[(2,7-dimethoxynaphthalen-1-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]benzamide
SMILESCOc1ccc2ccc(OC)c(/C=C3\S/C(=N/C(=O)c4ccccc4)NC3=O)c2c1
InChIInChI=1S/C23H18N2O4S/c1-28-16-10-8-14-9-11-19(29-2)18(17(14)12-16)13-20-22(27)25-23(30-20)24-21(26)15-6-4-3-5-7-15/h3-13H,1-2H3,(H,24,25,26,27)/b20-13-
InChIKeyMMWPVMRJBHCAOW-MOSHPQCFSA-N
XLogP4.26
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[(5Z)-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]benzamide
CID 137124558
N-[(5Z)-5-[(3-bromo-4-methoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]benzamide
CID 137124454
N-[(5Z)-5-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]benzamide
CID 137130856
ethyl 2-[4-[(Z)-(2-benzoylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenoxy]acetate
CID 137131088
2-[4-[(Z)-(2-benzoylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-5-bromo-2-methoxyphenoxy]acetic acid
CID 137065402
N-[(5Z)-5-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]benzamide
CID 137131129
N-[(5Z)-5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]benzamide
CID 137130821
N-[(5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]benzamide
CID 137126774
(5Z)-5-[(2-methoxynaphthalen-1-yl)methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135403838
2-[[(5Z)-5-[(2,5-dimethoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 135522742
N-[(5Z)-5-[[3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]benzamide
CID 137124589
N-[(5Z)-5-[(3-ethoxy-4-phenylmethoxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]benzamide
CID 137126720

Frequently Asked Questions

What is the IUPAC name of N-[(5Z)-5-[(2,7-dimethoxynaphthalen-1-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]benzamide?
The IUPAC name of N-[(5Z)-5-[(2,7-dimethoxynaphthalen-1-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]benzamide (CID 137131200) is N-[(5Z)-5-[(2,7-dimethoxynaphthalen-1-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]benzamide.
What is the SMILES notation for N-[(5Z)-5-[(2,7-dimethoxynaphthalen-1-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]benzamide?
The canonical SMILES for N-[(5Z)-5-[(2,7-dimethoxynaphthalen-1-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]benzamide is COc1ccc2ccc(OC)c(/C=C3\S/C(=N/C(=O)c4ccccc4)NC3=O)c2c1.
What is the InChIKey of N-[(5Z)-5-[(2,7-dimethoxynaphthalen-1-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]benzamide?
The InChIKey is MMWPVMRJBHCAOW-MOSHPQCFSA-N. The full InChI is InChI=1S/C23H18N2O4S/c1-28-16-10-8-14-9-11-19(29-2)18(17(14)12-16)13-20-22(27)25-23(30-20)24-21(26)15-6-4-3-5-7-15/h3-13H,1-2H3,(H,24,25,26,27)/b20-13-.
What are the key properties of N-[(5Z)-5-[(2,7-dimethoxynaphthalen-1-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]benzamide?
N-[(5Z)-5-[(2,7-dimethoxynaphthalen-1-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]benzamide has a molecular weight of 418.47 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5Z)-5-[(2,7-dimethoxynaphthalen-1-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]benzamide is sourced from PubChem (CID 137131200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).