(5Z)-2-(2-methoxy-5-methylphenyl)imino-5-[[3-methoxy-4-(2-methylpropoxy)phenyl]methylidene]-1,3-thiazolidin-4-one

C23H26N2O4S — CID 137162270

IUPAC(5Z)-2-(2-methoxy-5-methylphenyl)imino-5-[[3-methoxy-4-(2-methylpropoxy)phenyl]methylidene]-1,3-thiazolidin-4-one
SMILESCOc1ccc(C)cc1/N=C1\NC(=O)/C(=C/c2ccc(OCC(C)C)c(OC)c2)S1
InChIInChI=1S/C23H26N2O4S/c1-14(2)13-29-19-9-7-16(11-20(19)28-5)12-21-22(26)25-23(30-21)24-17-10-15(3)6-8-18(17)27-4/h6-12,14H,13H2,1-5H3,(H,24,25,26)/b21-12-
InChIKeyNULMZADBJATROT-MTJSOVHGSA-N
MW426.54 g/mol
LogP4.94
Rot. Bonds7

About (5Z)-2-(2-methoxy-5-methylphenyl)imino-5-[[3-methoxy-4-(2-methylpropoxy)phenyl]methylidene]-1,3-thiazolidin-4-one

(5Z)-2-(2-methoxy-5-methylphenyl)imino-5-[[3-methoxy-4-(2-methylpropoxy)phenyl]methylidene]-1,3-thiazolidin-4-one (PubChem CID 137162270) has the molecular formula C23H26N2O4S and a molecular weight of 426.54 g/mol. Its IUPAC name is (5Z)-2-(2-methoxy-5-methylphenyl)imino-5-[[3-methoxy-4-(2-methylpropoxy)phenyl]methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-(2-methoxy-5-methylphenyl)imino-5-[[3-methoxy-4-(2-methylpropoxy)phenyl]methylidene]-1,3-thiazolidin-4-one
PubChem CID137162270
Molecular FormulaC23H26N2O4S
Molecular Weight426.54 g/mol
Exact Mass426.16
IUPAC Name(5Z)-2-(2-methoxy-5-methylphenyl)imino-5-[[3-methoxy-4-(2-methylpropoxy)phenyl]methylidene]-1,3-thiazolidin-4-one
SMILESCOc1ccc(C)cc1/N=C1\NC(=O)/C(=C/c2ccc(OCC(C)C)c(OC)c2)S1
InChIInChI=1S/C23H26N2O4S/c1-14(2)13-29-19-9-7-16(11-20(19)28-5)12-21-22(26)25-23(30-21)24-17-10-15(3)6-8-18(17)27-4/h6-12,14H,13H2,1-5H3,(H,24,25,26)/b21-12-
InChIKeyNULMZADBJATROT-MTJSOVHGSA-N
XLogP4.94
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

2-[2-methoxy-4-[(Z)-[2-(2-methoxy-5-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide
CID 137162199
(5Z)-2-(2-methoxy-5-methylphenyl)imino-5-[(3-methoxy-4-methylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 137118694
(5Z)-2-(2-methoxy-5-methylphenyl)imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 137119004
(5Z)-5-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]-2-(2-methoxy-5-methylphenyl)imino-1,3-thiazolidin-4-one
CID 137119017
3-[4-[(Z)-[2-(2-methoxy-5-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]propanoic acid
CID 137162636
(5Z)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-(2-ethoxyphenyl)imino-1,3-thiazolidin-4-one
CID 135500978
(5Z)-2-(2,4-dimethylphenyl)imino-5-[[4-[(4-iodophenyl)methoxy]-3-methoxyphenyl]methylidene]-1,3-thiazolidin-4-one
CID 137122074
2-[4-[(Z)-[2-(5-chloro-2-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenoxy]acetic acid
CID 137162362
(5Z)-2-(5-chloro-2-methoxyphenyl)imino-5-[(3-ethoxy-4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 137140312
(5Z)-5-[(3-ethoxy-4-methoxyphenyl)methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 137069971
5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-naphthalen-1-ylimino-1,3-thiazolidin-4-one
CID 135486855
2-[2-methoxy-4-[(Z)-[2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide
CID 137074123

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-(2-methoxy-5-methylphenyl)imino-5-[[3-methoxy-4-(2-methylpropoxy)phenyl]methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-(2-methoxy-5-methylphenyl)imino-5-[[3-methoxy-4-(2-methylpropoxy)phenyl]methylidene]-1,3-thiazolidin-4-one (CID 137162270) is (5Z)-2-(2-methoxy-5-methylphenyl)imino-5-[[3-methoxy-4-(2-methylpropoxy)phenyl]methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-(2-methoxy-5-methylphenyl)imino-5-[[3-methoxy-4-(2-methylpropoxy)phenyl]methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-(2-methoxy-5-methylphenyl)imino-5-[[3-methoxy-4-(2-methylpropoxy)phenyl]methylidene]-1,3-thiazolidin-4-one is COc1ccc(C)cc1/N=C1\NC(=O)/C(=C/c2ccc(OCC(C)C)c(OC)c2)S1.
What is the InChIKey of (5Z)-2-(2-methoxy-5-methylphenyl)imino-5-[[3-methoxy-4-(2-methylpropoxy)phenyl]methylidene]-1,3-thiazolidin-4-one?
The InChIKey is NULMZADBJATROT-MTJSOVHGSA-N. The full InChI is InChI=1S/C23H26N2O4S/c1-14(2)13-29-19-9-7-16(11-20(19)28-5)12-21-22(26)25-23(30-21)24-17-10-15(3)6-8-18(17)27-4/h6-12,14H,13H2,1-5H3,(H,24,25,26)/b21-12-.
What are the key properties of (5Z)-2-(2-methoxy-5-methylphenyl)imino-5-[[3-methoxy-4-(2-methylpropoxy)phenyl]methylidene]-1,3-thiazolidin-4-one?
(5Z)-2-(2-methoxy-5-methylphenyl)imino-5-[[3-methoxy-4-(2-methylpropoxy)phenyl]methylidene]-1,3-thiazolidin-4-one has a molecular weight of 426.54 g/mol, XLogP of 4.94, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-(2-methoxy-5-methylphenyl)imino-5-[[3-methoxy-4-(2-methylpropoxy)phenyl]methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 137162270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).