(5Z)-2-(4-methylphenyl)imino-5-[(2-methyl-1,3-thiazol-4-yl)methylidene]-1,3-thiazolidin-4-one

C15H13N3OS2 — CID 135841097

IUPAC(5Z)-2-(4-methylphenyl)imino-5-[(2-methyl-1,3-thiazol-4-yl)methylidene]-1,3-thiazolidin-4-one
SMILESCc1ccc(/N=C2\NC(=O)/C(=C/c3csc(C)n3)S2)cc1
InChIInChI=1S/C15H13N3OS2/c1-9-3-5-11(6-4-9)17-15-18-14(19)13(21-15)7-12-8-20-10(2)16-12/h3-8H,1-2H3,(H,17,18,19)/b13-7-
InChIKeyWKMUEJAPHRPJIL-QPEQYQDCSA-N
MW315.42 g/mol
LogP3.65
Rot. Bonds2

About (5Z)-2-(4-methylphenyl)imino-5-[(2-methyl-1,3-thiazol-4-yl)methylidene]-1,3-thiazolidin-4-one

(5Z)-2-(4-methylphenyl)imino-5-[(2-methyl-1,3-thiazol-4-yl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 135841097) has the molecular formula C15H13N3OS2 and a molecular weight of 315.42 g/mol. Its IUPAC name is (5Z)-2-(4-methylphenyl)imino-5-[(2-methyl-1,3-thiazol-4-yl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-(4-methylphenyl)imino-5-[(2-methyl-1,3-thiazol-4-yl)methylidene]-1,3-thiazolidin-4-one
PubChem CID135841097
Molecular FormulaC15H13N3OS2
Molecular Weight315.42 g/mol
Exact Mass315.05
IUPAC Name(5Z)-2-(4-methylphenyl)imino-5-[(2-methyl-1,3-thiazol-4-yl)methylidene]-1,3-thiazolidin-4-one
SMILESCc1ccc(/N=C2\NC(=O)/C(=C/c3csc(C)n3)S2)cc1
InChIInChI=1S/C15H13N3OS2/c1-9-3-5-11(6-4-9)17-15-18-14(19)13(21-15)7-12-8-20-10(2)16-12/h3-8H,1-2H3,(H,17,18,19)/b13-7-
InChIKeyWKMUEJAPHRPJIL-QPEQYQDCSA-N
XLogP3.65
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.65
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

2-(4-methylphenyl)imino-5-(pyridin-4-ylmethylidene)-1,3-thiazolidin-4-one
CID 135461464
N-(2,3-dimethylphenyl)-N-[4-[(Z)-[2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-1,3-thiazol-2-yl]acetamide
CID 135888895
(5E)-2-(4-methylphenyl)imino-5-[(2,4,6-trimethylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 137080635
(5E)-5-[(4-chlorophenyl)methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135404507
4-[(Z)-[2-(4-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoate
CID 135766142
(5E)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135403926
(5E)-2-(4-methylphenyl)imino-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 137080237
(5Z)-5-[(5-bromofuran-2-yl)methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 136727980
2-(3,4-dimethylphenyl)imino-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135486677
(5E)-5-[(2,4-difluorophenyl)methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135841078
5-[(3-bromophenyl)methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135523188
(5Z)-2-[4-(diethylamino)phenyl]imino-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135766048

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-(4-methylphenyl)imino-5-[(2-methyl-1,3-thiazol-4-yl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-(4-methylphenyl)imino-5-[(2-methyl-1,3-thiazol-4-yl)methylidene]-1,3-thiazolidin-4-one (CID 135841097) is (5Z)-2-(4-methylphenyl)imino-5-[(2-methyl-1,3-thiazol-4-yl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-(4-methylphenyl)imino-5-[(2-methyl-1,3-thiazol-4-yl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-(4-methylphenyl)imino-5-[(2-methyl-1,3-thiazol-4-yl)methylidene]-1,3-thiazolidin-4-one is Cc1ccc(/N=C2\NC(=O)/C(=C/c3csc(C)n3)S2)cc1.
What is the InChIKey of (5Z)-2-(4-methylphenyl)imino-5-[(2-methyl-1,3-thiazol-4-yl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is WKMUEJAPHRPJIL-QPEQYQDCSA-N. The full InChI is InChI=1S/C15H13N3OS2/c1-9-3-5-11(6-4-9)17-15-18-14(19)13(21-15)7-12-8-20-10(2)16-12/h3-8H,1-2H3,(H,17,18,19)/b13-7-.
What are the key properties of (5Z)-2-(4-methylphenyl)imino-5-[(2-methyl-1,3-thiazol-4-yl)methylidene]-1,3-thiazolidin-4-one?
(5Z)-2-(4-methylphenyl)imino-5-[(2-methyl-1,3-thiazol-4-yl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 315.42 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-(4-methylphenyl)imino-5-[(2-methyl-1,3-thiazol-4-yl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135841097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).