2-[[2-(5-methylthiophen-2-yl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one

C15H13N3OS2 — CID 168576530

IUPAC2-[[2-(5-methylthiophen-2-yl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCc1ccc(-c2ccccc2C=NN=C2NC(=O)CS2)s1
InChIInChI=1S/C15H13N3OS2/c1-10-6-7-13(21-10)12-5-3-2-4-11(12)8-16-18-15-17-14(19)9-20-15/h2-8H,9H2,1H3,(H,17,18,19)
InChIKeyXFPPAXOHJUBKJC-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.28
Rot. Bonds3

About 2-[[2-(5-methylthiophen-2-yl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one

2-[[2-(5-methylthiophen-2-yl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 168576530) has the molecular formula C15H13N3OS2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 2-[[2-(5-methylthiophen-2-yl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[[2-(5-methylthiophen-2-yl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID168576530
Molecular FormulaC15H13N3OS2
Molecular Weight315.42 g/mol
Exact Mass315.05
IUPAC Name2-[[2-(5-methylthiophen-2-yl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCc1ccc(-c2ccccc2C=NN=C2NC(=O)CS2)s1
InChIInChI=1S/C15H13N3OS2/c1-10-6-7-13(21-10)12-5-3-2-4-11(12)8-16-18-15-17-14(19)9-20-15/h2-8H,9H2,1H3,(H,17,18,19)
InChIKeyXFPPAXOHJUBKJC-UHFFFAOYSA-N
XLogP3.28
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[[2-(5-methylthiophen-2-yl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one 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

(2E)-2-[(Z)-(2-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135890207
2-[(2,3-difluorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576171
2-[[2-[3-(hydroxymethyl)phenyl]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576543
(2Z)-2-[(2,4,5-trimethylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135892890
(2E)-2-[(E)-(2,4,5-trimethylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135666878
2-[(2-phenylsulfanylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576327
(2Z)-2-[(Z)-(1,3-dimethylpyrazol-4-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135995765
(2Z)-2-[(4-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135734362
(2Z)-2-[(Z)-[2-(difluoromethoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135558880
(2E)-2-[(E)-(2-oxo-1H-quinolin-3-yl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135886580
(2E)-2-[(E)-[2-(difluoromethoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135634727
2-[[2-(butan-2-yloxymethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574231

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-methylthiophen-2-yl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[[2-(5-methylthiophen-2-yl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 168576530) is 2-[[2-(5-methylthiophen-2-yl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[[2-(5-methylthiophen-2-yl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[[2-(5-methylthiophen-2-yl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is Cc1ccc(-c2ccccc2C=NN=C2NC(=O)CS2)s1.
What is the InChIKey of 2-[[2-(5-methylthiophen-2-yl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is XFPPAXOHJUBKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS2/c1-10-6-7-13(21-10)12-5-3-2-4-11(12)8-16-18-15-17-14(19)9-20-15/h2-8H,9H2,1H3,(H,17,18,19).
What are the key properties of 2-[[2-(5-methylthiophen-2-yl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
2-[[2-(5-methylthiophen-2-yl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 315.42 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-methylthiophen-2-yl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 168576530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).