(5E)-2-(2,5-dimethylphenyl)imino-5-(thiadiazol-4-ylmethylidene)-1,3-thiazolidin-4-one

C14H12N4OS2 — CID 136847264

IUPAC(5E)-2-(2,5-dimethylphenyl)imino-5-(thiadiazol-4-ylmethylidene)-1,3-thiazolidin-4-one
SMILESCc1ccc(C)c(/N=C2\NC(=O)/C(=C\c3csnn3)S2)c1
InChIInChI=1S/C14H12N4OS2/c1-8-3-4-9(2)11(5-8)15-14-16-13(19)12(21-14)6-10-7-20-18-17-10/h3-7H,1-2H3,(H,15,16,19)/b12-6+
InChIKeyRIZKVJGRGZZXDT-WUXMJOGZSA-N
MW316.41 g/mol
LogP3.05
Rot. Bonds2

About (5E)-2-(2,5-dimethylphenyl)imino-5-(thiadiazol-4-ylmethylidene)-1,3-thiazolidin-4-one

(5E)-2-(2,5-dimethylphenyl)imino-5-(thiadiazol-4-ylmethylidene)-1,3-thiazolidin-4-one (PubChem CID 136847264) has the molecular formula C14H12N4OS2 and a molecular weight of 316.41 g/mol. Its IUPAC name is (5E)-2-(2,5-dimethylphenyl)imino-5-(thiadiazol-4-ylmethylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-2-(2,5-dimethylphenyl)imino-5-(thiadiazol-4-ylmethylidene)-1,3-thiazolidin-4-one
PubChem CID136847264
Molecular FormulaC14H12N4OS2
Molecular Weight316.41 g/mol
Exact Mass316.05
IUPAC Name(5E)-2-(2,5-dimethylphenyl)imino-5-(thiadiazol-4-ylmethylidene)-1,3-thiazolidin-4-one
SMILESCc1ccc(C)c(/N=C2\NC(=O)/C(=C\c3csnn3)S2)c1
InChIInChI=1S/C14H12N4OS2/c1-8-3-4-9(2)11(5-8)15-14-16-13(19)12(21-14)6-10-7-20-18-17-10/h3-7H,1-2H3,(H,15,16,19)/b12-6+
InChIKeyRIZKVJGRGZZXDT-WUXMJOGZSA-N
XLogP3.05
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(2,5-dimethylphenyl)imino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 135834908
(5E)-5-[(4-chlorophenyl)methylidene]-2-(2,5-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 135563139
(5Z)-5-[(4-bromophenyl)methylidene]-2-(2,5-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 135421066
(5Z)-5-[(2,5-dimethoxyphenyl)methylidene]-2-(2,5-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 135421039
2-[3-[(E)-[2-(2,5-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]propanoic acid
CID 135941504
N-(2,4-difluorophenyl)-N-[4-[(Z)-[2-(2,5-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-1,3-thiazol-2-yl]acetamide
CID 135926640
[2-[(Z)-[2-(2,5-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenyl] benzoate
CID 137166787
(5Z)-2-(2-methoxy-5-methylphenyl)imino-5-[(3-methoxy-4-methylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 137118694
(5Z)-5-[(3,4-dihydroxyphenyl)methylidene]-2-(2,4-dimethylphenyl)imino-1,3-thiazolidin-4-one
CID 135766066
2-(3,4-dimethylphenyl)imino-5-[(4-methylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135486677
4-[5-[(Z)-[2-(2,5-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoic acid
CID 137172166
(5Z)-5-[(2,6-dichlorophenyl)methylidene]-2-(2-hydroxy-5-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135834310

Frequently Asked Questions

What is the IUPAC name of (5E)-2-(2,5-dimethylphenyl)imino-5-(thiadiazol-4-ylmethylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-2-(2,5-dimethylphenyl)imino-5-(thiadiazol-4-ylmethylidene)-1,3-thiazolidin-4-one (CID 136847264) is (5E)-2-(2,5-dimethylphenyl)imino-5-(thiadiazol-4-ylmethylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-2-(2,5-dimethylphenyl)imino-5-(thiadiazol-4-ylmethylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-2-(2,5-dimethylphenyl)imino-5-(thiadiazol-4-ylmethylidene)-1,3-thiazolidin-4-one is Cc1ccc(C)c(/N=C2\NC(=O)/C(=C\c3csnn3)S2)c1.
What is the InChIKey of (5E)-2-(2,5-dimethylphenyl)imino-5-(thiadiazol-4-ylmethylidene)-1,3-thiazolidin-4-one?
The InChIKey is RIZKVJGRGZZXDT-WUXMJOGZSA-N. The full InChI is InChI=1S/C14H12N4OS2/c1-8-3-4-9(2)11(5-8)15-14-16-13(19)12(21-14)6-10-7-20-18-17-10/h3-7H,1-2H3,(H,15,16,19)/b12-6+.
What are the key properties of (5E)-2-(2,5-dimethylphenyl)imino-5-(thiadiazol-4-ylmethylidene)-1,3-thiazolidin-4-one?
(5E)-2-(2,5-dimethylphenyl)imino-5-(thiadiazol-4-ylmethylidene)-1,3-thiazolidin-4-one has a molecular weight of 316.41 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-(2,5-dimethylphenyl)imino-5-(thiadiazol-4-ylmethylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 136847264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).