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

C19H15ClN4OS — CID 135922334

IUPAC(5Z)-5-[(2-chloroimidazo[1,2-a]pyridin-3-yl)methylidene]-2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one
SMILESCc1ccc(/N=C2\NC(=O)/C(=C/c3c(Cl)nc4ccccn34)S2)c(C)c1
InChIInChI=1S/C19H15ClN4OS/c1-11-6-7-13(12(2)9-11)21-19-23-18(25)15(26-19)10-14-17(20)22-16-5-3-4-8-24(14)16/h3-10H,1-2H3,(H,21,23,25)/b15-10-
InChIKeyVTHAIOVLEYPUMI-GDNBJRDFSA-N
MW382.88 g/mol
LogP4.50
Rot. Bonds2

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

(5Z)-5-[(2-chloroimidazo[1,2-a]pyridin-3-yl)methylidene]-2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one (PubChem CID 135922334) has the molecular formula C19H15ClN4OS and a molecular weight of 382.88 g/mol. Its IUPAC name is (5Z)-5-[(2-chloroimidazo[1,2-a]pyridin-3-yl)methylidene]-2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(2-chloroimidazo[1,2-a]pyridin-3-yl)methylidene]-2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one
PubChem CID135922334
Molecular FormulaC19H15ClN4OS
Molecular Weight382.88 g/mol
Exact Mass382.07
IUPAC Name(5Z)-5-[(2-chloroimidazo[1,2-a]pyridin-3-yl)methylidene]-2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one
SMILESCc1ccc(/N=C2\NC(=O)/C(=C/c3c(Cl)nc4ccccn34)S2)c(C)c1
InChIInChI=1S/C19H15ClN4OS/c1-11-6-7-13(12(2)9-11)21-19-23-18(25)15(26-19)10-14-17(20)22-16-5-3-4-8-24(14)16/h3-10H,1-2H3,(H,21,23,25)/b15-10-
InChIKeyVTHAIOVLEYPUMI-GDNBJRDFSA-N
XLogP4.50
TPSA58.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.88
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_C(13)', 'substructure': 'N/A'}, {'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-[(1-methylpyrrol-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 135628212
(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-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylidene]-1,3-thiazolidin-4-one
CID 136689306
(5E)-5-[[4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 136782278
(5Z)-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 137172127
(5Z)-2-(2,4-dimethylphenyl)imino-5-[(4-piperidin-1-ylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 137080163
(5Z)-2-(2,4-dimethylphenyl)imino-5-[(2-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
CID 137166004
(5E)-5-[(3,5-dibromo-4-phenylmethoxyphenyl)methylidene]-2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 137089480
(5E)-5-[(3,5-dibromo-4-methoxyphenyl)methylidene]-2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 137089519
(5E)-5-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 137089504
(5E)-5-[(4-chlorophenyl)methylidene]-2-(2,5-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 135563139

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(2-chloroimidazo[1,2-a]pyridin-3-yl)methylidene]-2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(2-chloroimidazo[1,2-a]pyridin-3-yl)methylidene]-2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one (CID 135922334) is (5Z)-5-[(2-chloroimidazo[1,2-a]pyridin-3-yl)methylidene]-2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(2-chloroimidazo[1,2-a]pyridin-3-yl)methylidene]-2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(2-chloroimidazo[1,2-a]pyridin-3-yl)methylidene]-2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one is Cc1ccc(/N=C2\NC(=O)/C(=C/c3c(Cl)nc4ccccn34)S2)c(C)c1.
What is the InChIKey of (5Z)-5-[(2-chloroimidazo[1,2-a]pyridin-3-yl)methylidene]-2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is VTHAIOVLEYPUMI-GDNBJRDFSA-N. The full InChI is InChI=1S/C19H15ClN4OS/c1-11-6-7-13(12(2)9-11)21-19-23-18(25)15(26-19)10-14-17(20)22-16-5-3-4-8-24(14)16/h3-10H,1-2H3,(H,21,23,25)/b15-10-.
What are the key properties of (5Z)-5-[(2-chloroimidazo[1,2-a]pyridin-3-yl)methylidene]-2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one?
(5Z)-5-[(2-chloroimidazo[1,2-a]pyridin-3-yl)methylidene]-2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 382.88 g/mol, XLogP of 4.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(2-chloroimidazo[1,2-a]pyridin-3-yl)methylidene]-2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135922334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).