(5Z)-5-[(4-chlorophenyl)methylidene]-2-[4-(dimethylamino)phenyl]imino-1,3-thiazolidin-4-one

C18H16ClN3OS — CID 135971380

IUPAC(5Z)-5-[(4-chlorophenyl)methylidene]-2-[4-(dimethylamino)phenyl]imino-1,3-thiazolidin-4-one
SMILESCN(C)c1ccc(/N=C2\NC(=O)/C(=C/c3ccc(Cl)cc3)S2)cc1
InChIInChI=1S/C18H16ClN3OS/c1-22(2)15-9-7-14(8-10-15)20-18-21-17(23)16(24-18)11-12-3-5-13(19)6-4-12/h3-11H,1-2H3,(H,20,21,23)/b16-11-
InChIKeyIMBPPRBRYQSTBE-WJDWOHSUSA-N
MW357.87 g/mol
LogP4.30
Rot. Bonds3

About (5Z)-5-[(4-chlorophenyl)methylidene]-2-[4-(dimethylamino)phenyl]imino-1,3-thiazolidin-4-one

(5Z)-5-[(4-chlorophenyl)methylidene]-2-[4-(dimethylamino)phenyl]imino-1,3-thiazolidin-4-one (PubChem CID 135971380) has the molecular formula C18H16ClN3OS and a molecular weight of 357.87 g/mol. Its IUPAC name is (5Z)-5-[(4-chlorophenyl)methylidene]-2-[4-(dimethylamino)phenyl]imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(4-chlorophenyl)methylidene]-2-[4-(dimethylamino)phenyl]imino-1,3-thiazolidin-4-one
PubChem CID135971380
Molecular FormulaC18H16ClN3OS
Molecular Weight357.87 g/mol
Exact Mass357.07
IUPAC Name(5Z)-5-[(4-chlorophenyl)methylidene]-2-[4-(dimethylamino)phenyl]imino-1,3-thiazolidin-4-one
SMILESCN(C)c1ccc(/N=C2\NC(=O)/C(=C/c3ccc(Cl)cc3)S2)cc1
InChIInChI=1S/C18H16ClN3OS/c1-22(2)15-9-7-14(8-10-15)20-18-21-17(23)16(24-18)11-12-3-5-13(19)6-4-12/h3-11H,1-2H3,(H,20,21,23)/b16-11-
InChIKeyIMBPPRBRYQSTBE-WJDWOHSUSA-N
XLogP4.30
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.87
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(4-chlorophenyl)methylidene]-2-[4-(dimethylamino)phenyl]imino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(4-chlorophenyl)methylidene]-2-[4-(dimethylamino)phenyl]imino-1,3-thiazolidin-4-one (CID 135971380) is (5Z)-5-[(4-chlorophenyl)methylidene]-2-[4-(dimethylamino)phenyl]imino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(4-chlorophenyl)methylidene]-2-[4-(dimethylamino)phenyl]imino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(4-chlorophenyl)methylidene]-2-[4-(dimethylamino)phenyl]imino-1,3-thiazolidin-4-one is CN(C)c1ccc(/N=C2\NC(=O)/C(=C/c3ccc(Cl)cc3)S2)cc1.
What is the InChIKey of (5Z)-5-[(4-chlorophenyl)methylidene]-2-[4-(dimethylamino)phenyl]imino-1,3-thiazolidin-4-one?
The InChIKey is IMBPPRBRYQSTBE-WJDWOHSUSA-N. The full InChI is InChI=1S/C18H16ClN3OS/c1-22(2)15-9-7-14(8-10-15)20-18-21-17(23)16(24-18)11-12-3-5-13(19)6-4-12/h3-11H,1-2H3,(H,20,21,23)/b16-11-.
What are the key properties of (5Z)-5-[(4-chlorophenyl)methylidene]-2-[4-(dimethylamino)phenyl]imino-1,3-thiazolidin-4-one?
(5Z)-5-[(4-chlorophenyl)methylidene]-2-[4-(dimethylamino)phenyl]imino-1,3-thiazolidin-4-one has a molecular weight of 357.87 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-chlorophenyl)methylidene]-2-[4-(dimethylamino)phenyl]imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135971380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).