(5Z)-5-[[1-(4-methylphenyl)pyrazol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione

C14H11N3O2S — CID 150006835

IUPAC(5Z)-5-[[1-(4-methylphenyl)pyrazol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCc1ccc(-n2cc(/C=C3\SC(=O)NC3=O)cn2)cc1
InChIInChI=1S/C14H11N3O2S/c1-9-2-4-11(5-3-9)17-8-10(7-15-17)6-12-13(18)16-14(19)20-12/h2-8H,1H3,(H,16,18,19)/b12-6-
InChIKeyDCLVHSUUZOKLDZ-SDQBBNPISA-N
MW285.33 g/mol
LogP2.50
Rot. Bonds2

About (5Z)-5-[[1-(4-methylphenyl)pyrazol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione

(5Z)-5-[[1-(4-methylphenyl)pyrazol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 150006835) has the molecular formula C14H11N3O2S and a molecular weight of 285.33 g/mol. Its IUPAC name is (5Z)-5-[[1-(4-methylphenyl)pyrazol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[1-(4-methylphenyl)pyrazol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID150006835
Molecular FormulaC14H11N3O2S
Molecular Weight285.33 g/mol
Exact Mass285.06
IUPAC Name(5Z)-5-[[1-(4-methylphenyl)pyrazol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCc1ccc(-n2cc(/C=C3\SC(=O)NC3=O)cn2)cc1
InChIInChI=1S/C14H11N3O2S/c1-9-2-4-11(5-3-9)17-8-10(7-15-17)6-12-13(18)16-14(19)20-12/h2-8H,1H3,(H,16,18,19)/b12-6-
InChIKeyDCLVHSUUZOKLDZ-SDQBBNPISA-N
XLogP2.50
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze (5Z)-5-[[1-(4-methylphenyl)pyrazol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[4-(4-nitropyrazol-1-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 134612550
(5Z)-2-cyclopentylimino-5-[(1-phenylpyrazol-4-yl)methylidene]-1,3-thiazolidin-4-one
CID 135885799
(5Z)-5-[[1-(3-chlorophenyl)pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 150847868
(5Z)-3-ethyl-5-[[1-(4-methylphenyl)pyrazol-4-yl]methylidene]-2-sulfanyl-1,3-thiazolidin-4-one
CID 175582022
(5E)-5-[[4-(2-methylimidazol-1-yl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 155531323
(5E)-5-[[4-(4-methylphenyl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 71570691
(5E)-5-(pyridin-4-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 1397819
N-[4-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl]-4-methyl-N-(4-methylbenzoyl)benzamide
CID 175547869
(5Z)-5-[(5-methyl-1-propan-2-ylpyrrol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 50857237
(5Z)-5-[(4-tert-butylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 6374855
2-[(4-methylphenyl)methylidene]-4H-1,4-benzothiazin-3-one
CID 4278965
5-[[4-(4-ethylphenyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 141228477

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[1-(4-methylphenyl)pyrazol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[1-(4-methylphenyl)pyrazol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione (CID 150006835) is (5Z)-5-[[1-(4-methylphenyl)pyrazol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[1-(4-methylphenyl)pyrazol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[1-(4-methylphenyl)pyrazol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione is Cc1ccc(-n2cc(/C=C3\SC(=O)NC3=O)cn2)cc1.
What is the InChIKey of (5Z)-5-[[1-(4-methylphenyl)pyrazol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is DCLVHSUUZOKLDZ-SDQBBNPISA-N. The full InChI is InChI=1S/C14H11N3O2S/c1-9-2-4-11(5-3-9)17-8-10(7-15-17)6-12-13(18)16-14(19)20-12/h2-8H,1H3,(H,16,18,19)/b12-6-.
What are the key properties of (5Z)-5-[[1-(4-methylphenyl)pyrazol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[1-(4-methylphenyl)pyrazol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 285.33 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[1-(4-methylphenyl)pyrazol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 150006835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).