(2Z)-2-[(E)-(2,4-dichlorophenyl)methylidenehydrazinylidene]-1,3-thiazinan-4-one

C11H9Cl2N3OS — CID 135544962

IUPAC(2Z)-2-[(E)-(2,4-dichlorophenyl)methylidenehydrazinylidene]-1,3-thiazinan-4-one
SMILESO=C1CCS/C(=N\N=C\c2ccc(Cl)cc2Cl)N1
InChIInChI=1S/C11H9Cl2N3OS/c12-8-2-1-7(9(13)5-8)6-14-16-11-15-10(17)3-4-18-11/h1-2,5-6H,3-4H2,(H,15,16,17)/b14-6+
InChIKeyXJGNAVKCPAPPGC-MKMNVTDBSA-N
MW302.19 g/mol
LogP2.94
Rot. Bonds2

About (2Z)-2-[(E)-(2,4-dichlorophenyl)methylidenehydrazinylidene]-1,3-thiazinan-4-one

(2Z)-2-[(E)-(2,4-dichlorophenyl)methylidenehydrazinylidene]-1,3-thiazinan-4-one (PubChem CID 135544962) has the molecular formula C11H9Cl2N3OS and a molecular weight of 302.19 g/mol. Its IUPAC name is (2Z)-2-[(E)-(2,4-dichlorophenyl)methylidenehydrazinylidene]-1,3-thiazinan-4-one.

Molecular Properties

Compound Name(2Z)-2-[(E)-(2,4-dichlorophenyl)methylidenehydrazinylidene]-1,3-thiazinan-4-one
PubChem CID135544962
Molecular FormulaC11H9Cl2N3OS
Molecular Weight302.19 g/mol
Exact Mass300.98
IUPAC Name(2Z)-2-[(E)-(2,4-dichlorophenyl)methylidenehydrazinylidene]-1,3-thiazinan-4-one
SMILESO=C1CCS/C(=N\N=C\c2ccc(Cl)cc2Cl)N1
InChIInChI=1S/C11H9Cl2N3OS/c12-8-2-1-7(9(13)5-8)6-14-16-11-15-10(17)3-4-18-11/h1-2,5-6H,3-4H2,(H,15,16,17)/b14-6+
InChIKeyXJGNAVKCPAPPGC-MKMNVTDBSA-N
XLogP2.94
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.19
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2Z)-2-[(E)-(2,4-dichlorophenyl)methylidenehydrazinylidene]-1,3-thiazinan-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

3-((2,4-dichlorobenzyl)thio)-6-methyl-1,2,4-triazin-5(4H)-one
CID 135444804
(2E)-2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135461369
2-[(2,4-dichlorophenyl)methylsulfanyl]-5-methyl-4,5-dihydro-1H-pyrimidin-6-one
CID 137661072
3-[(2-chloro-6-fluorobenzyl)thio]-1,2,4-triazin-5(4H)-one
CID 135509325
2-[(E)-(2,4-dichlorophenyl)methylidenehydrazinylidene]-1,3-thiazinan-4-one
CID 172936321
2-[(E)-(4-chlorophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 172929834
1-[(2,4-dichlorophenyl)methylsulfanyl]-7-fluoro-4-methanimidoyl-2H-isoquinolin-3-one
CID 136137725
Thiazolidin-4-one, 2-(4-chlorobenzylidenhydrazono)-
CID 135403956
2-{[(1E)-2-(2,6-dichlorophenyl)-1-azavinyl]amino}-1,3-thiazolin-4-one
CID 135472995
2-[(2E)-2-(2,6-dichlorobenzylidene)hydrazinyl]-5-methyl-1,3-thiazol-4(5H)-one
CID 135528450
2-[(2E)-2-[(2,4-dichlorophenyl)methylene]hydrazino]thiazol-4-one
CID 135886855
2-[(2E)-2-[(2,6-dichlorophenyl)methylene]hydrazino]thiazol-4-one
CID 135971161

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(E)-(2,4-dichlorophenyl)methylidenehydrazinylidene]-1,3-thiazinan-4-one?
The IUPAC name of (2Z)-2-[(E)-(2,4-dichlorophenyl)methylidenehydrazinylidene]-1,3-thiazinan-4-one (CID 135544962) is (2Z)-2-[(E)-(2,4-dichlorophenyl)methylidenehydrazinylidene]-1,3-thiazinan-4-one.
What is the SMILES notation for (2Z)-2-[(E)-(2,4-dichlorophenyl)methylidenehydrazinylidene]-1,3-thiazinan-4-one?
The canonical SMILES for (2Z)-2-[(E)-(2,4-dichlorophenyl)methylidenehydrazinylidene]-1,3-thiazinan-4-one is O=C1CCS/C(=N\N=C\c2ccc(Cl)cc2Cl)N1.
What is the InChIKey of (2Z)-2-[(E)-(2,4-dichlorophenyl)methylidenehydrazinylidene]-1,3-thiazinan-4-one?
The InChIKey is XJGNAVKCPAPPGC-MKMNVTDBSA-N. The full InChI is InChI=1S/C11H9Cl2N3OS/c12-8-2-1-7(9(13)5-8)6-14-16-11-15-10(17)3-4-18-11/h1-2,5-6H,3-4H2,(H,15,16,17)/b14-6+.
What are the key properties of (2Z)-2-[(E)-(2,4-dichlorophenyl)methylidenehydrazinylidene]-1,3-thiazinan-4-one?
(2Z)-2-[(E)-(2,4-dichlorophenyl)methylidenehydrazinylidene]-1,3-thiazinan-4-one has a molecular weight of 302.19 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(E)-(2,4-dichlorophenyl)methylidenehydrazinylidene]-1,3-thiazinan-4-one is sourced from PubChem (CID 135544962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).