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

C16H16N4O3S — CID 168575792

IUPAC2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCc1noc(C)c1COc1ccccc1C=NN=C1NC(=O)CS1
InChIInChI=1S/C16H16N4O3S/c1-10-13(11(2)23-20-10)8-22-14-6-4-3-5-12(14)7-17-19-16-18-15(21)9-24-16/h3-7H,8-9H2,1-2H3,(H,18,19,21)
InChIKeyRCANTWITMUQNGC-UHFFFAOYSA-N
MW344.40 g/mol
LogP2.42
Rot. Bonds5

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

2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 168575792) has the molecular formula C16H16N4O3S and a molecular weight of 344.40 g/mol. Its IUPAC name is 2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID168575792
Molecular FormulaC16H16N4O3S
Molecular Weight344.40 g/mol
Exact Mass344.09
IUPAC Name2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESCc1noc(C)c1COc1ccccc1C=NN=C1NC(=O)CS1
InChIInChI=1S/C16H16N4O3S/c1-10-13(11(2)23-20-10)8-22-14-6-4-3-5-12(14)7-17-19-16-18-15(21)9-24-16/h3-7H,8-9H2,1-2H3,(H,18,19,21)
InChIKeyRCANTWITMUQNGC-UHFFFAOYSA-N
XLogP2.42
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]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

(2Z)-2-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135528391
2-[(E)-[2-[(4-chlorophenyl)methoxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135641769
2-[[2-[(2-chlorophenyl)methoxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168573992
[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methylidenehydrazine
CID 168530523
(2E)-2-[(Z)-(2-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135890207
2-[(2-butan-2-yloxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576135
2-[[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576289
(2Z)-2-[(Z)-[2-(difluoromethoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135558880
(2E)-2-[(E)-[2-(difluoromethoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135634727
2-[[5-bromo-2-[(3-methylphenyl)methoxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168575890
2-[[2-(butan-2-yloxymethyl)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574231
2-[[2-(4-tert-butylphenoxy)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168575355

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of 2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 168575792) is 2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is Cc1noc(C)c1COc1ccccc1C=NN=C1NC(=O)CS1.
What is the InChIKey of 2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is RCANTWITMUQNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S/c1-10-13(11(2)23-20-10)8-22-14-6-4-3-5-12(14)7-17-19-16-18-15(21)9-24-16/h3-7H,8-9H2,1-2H3,(H,18,19,21).
What are the key properties of 2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one?
2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 344.40 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 168575792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).