(5Z)-2-(2,4-dimethylphenyl)imino-5-[(3,5-dimethylpyrazolidin-4-yl)methylidene]-1,3-thiazolidin-4-one

C17H22N4OS — CID 137265163

IUPAC(5Z)-2-(2,4-dimethylphenyl)imino-5-[(3,5-dimethylpyrazolidin-4-yl)methylidene]-1,3-thiazolidin-4-one
SMILESCc1ccc(/N=C2/NC(=O)/C(=C/C3C(C)NNC3C)S2)c(C)c1
InChIInChI=1S/C17H22N4OS/c1-9-5-6-14(10(2)7-9)18-17-19-16(22)15(23-17)8-13-11(3)20-21-12(13)4/h5-8,11-13,20-21H,1-4H3,(H,18,19,22)/b15-8-
InChIKeyWBDVUJVDQYHKDI-NVNXTCNLSA-N
MW330.46 g/mol
LogP2.54
Rot. Bonds2

About (5Z)-2-(2,4-dimethylphenyl)imino-5-[(3,5-dimethylpyrazolidin-4-yl)methylidene]-1,3-thiazolidin-4-one

(5Z)-2-(2,4-dimethylphenyl)imino-5-[(3,5-dimethylpyrazolidin-4-yl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 137265163) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is (5Z)-2-(2,4-dimethylphenyl)imino-5-[(3,5-dimethylpyrazolidin-4-yl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-(2,4-dimethylphenyl)imino-5-[(3,5-dimethylpyrazolidin-4-yl)methylidene]-1,3-thiazolidin-4-one
PubChem CID137265163
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC Name(5Z)-2-(2,4-dimethylphenyl)imino-5-[(3,5-dimethylpyrazolidin-4-yl)methylidene]-1,3-thiazolidin-4-one
SMILESCc1ccc(/N=C2/NC(=O)/C(=C/C3C(C)NNC3C)S2)c(C)c1
InChIInChI=1S/C17H22N4OS/c1-9-5-6-14(10(2)7-9)18-17-19-16(22)15(23-17)8-13-11(3)20-21-12(13)4/h5-8,11-13,20-21H,1-4H3,(H,18,19,22)/b15-8-
InChIKeyWBDVUJVDQYHKDI-NVNXTCNLSA-N
XLogP2.54
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 52.54
H-Bond Donors ≤ 53
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

(5Z)-2-(2,4-dimethylphenyl)imino-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-1,3-thiazolidin-4-one
CID 135500988
(5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 135766066
(5E)-2-(2,4-dimethylphenyl)imino-5-[(4-hydroxy-3,5-diiodophenyl)methylidene]-1,3-thiazolidin-4-one
CID 137089498
(5Z)-2-(2,4-dimethylphenyl)imino-5-[(1-methylpyrrol-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 135628212
(5Z)-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 137172127
(5E)-5-[(4-butoxyphenyl)methylidene]-2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 137045260
(5Z)-5-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 137172125
(5E)-5-[(3,5-dibromo-4-methoxyphenyl)methylidene]-2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 137089519
(5Z)-2-(2,4-dimethylphenyl)imino-5-[[(4S)-1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl]methylidene]-1,3-thiazolidin-4-one
CID 136831708
(5Z)-2-(2,4-dimethylphenyl)imino-5-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylidene]-1,3-thiazolidin-4-one
CID 137086171
(5Z)-2-(2,4-dimethylphenyl)imino-5-[(4-piperidin-1-ylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 137080163
(5E)-5-[(2,5-dimethoxyphenyl)methylidene]-2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 135489761

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-(2,4-dimethylphenyl)imino-5-[(3,5-dimethylpyrazolidin-4-yl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-(2,4-dimethylphenyl)imino-5-[(3,5-dimethylpyrazolidin-4-yl)methylidene]-1,3-thiazolidin-4-one (CID 137265163) is (5Z)-2-(2,4-dimethylphenyl)imino-5-[(3,5-dimethylpyrazolidin-4-yl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-(2,4-dimethylphenyl)imino-5-[(3,5-dimethylpyrazolidin-4-yl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-(2,4-dimethylphenyl)imino-5-[(3,5-dimethylpyrazolidin-4-yl)methylidene]-1,3-thiazolidin-4-one is Cc1ccc(/N=C2/NC(=O)/C(=C/C3C(C)NNC3C)S2)c(C)c1.
What is the InChIKey of (5Z)-2-(2,4-dimethylphenyl)imino-5-[(3,5-dimethylpyrazolidin-4-yl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is WBDVUJVDQYHKDI-NVNXTCNLSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-9-5-6-14(10(2)7-9)18-17-19-16(22)15(23-17)8-13-11(3)20-21-12(13)4/h5-8,11-13,20-21H,1-4H3,(H,18,19,22)/b15-8-.
What are the key properties of (5Z)-2-(2,4-dimethylphenyl)imino-5-[(3,5-dimethylpyrazolidin-4-yl)methylidene]-1,3-thiazolidin-4-one?
(5Z)-2-(2,4-dimethylphenyl)imino-5-[(3,5-dimethylpyrazolidin-4-yl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 330.46 g/mol, XLogP of 2.54, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-(2,4-dimethylphenyl)imino-5-[(3,5-dimethylpyrazolidin-4-yl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 137265163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).