3-[(4-chlorophenyl)hydrazinylidene]-1-methyl-2,2-dioxothieno[3,2-c]thiazin-4-one

C13H10ClN3O3S2 — CID 2820508

IUPAC3-[(4-chlorophenyl)hydrazinylidene]-1-methyl-2,2-dioxothieno[3,2-c]thiazin-4-one
SMILESCN1c2ccsc2C(=O)C(=NNc2ccc(Cl)cc2)S1(=O)=O
InChIInChI=1S/C13H10ClN3O3S2/c1-17-10-6-7-21-12(10)11(18)13(22(17,19)20)16-15-9-4-2-8(14)3-5-9/h2-7,15H,1H3
InChIKeyOZMVDOREBOZLHR-UHFFFAOYSA-N
MW355.83 g/mol
LogP2.79
Rot. Bonds2

About 3-[(4-chlorophenyl)hydrazinylidene]-1-methyl-2,2-dioxothieno[3,2-c]thiazin-4-one

3-[(4-chlorophenyl)hydrazinylidene]-1-methyl-2,2-dioxothieno[3,2-c]thiazin-4-one (PubChem CID 2820508) has the molecular formula C13H10ClN3O3S2 and a molecular weight of 355.83 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)hydrazinylidene]-1-methyl-2,2-dioxothieno[3,2-c]thiazin-4-one.

Molecular Properties

Compound Name3-[(4-chlorophenyl)hydrazinylidene]-1-methyl-2,2-dioxothieno[3,2-c]thiazin-4-one
PubChem CID2820508
Molecular FormulaC13H10ClN3O3S2
Molecular Weight355.83 g/mol
Exact Mass354.99
IUPAC Name3-[(4-chlorophenyl)hydrazinylidene]-1-methyl-2,2-dioxothieno[3,2-c]thiazin-4-one
SMILESCN1c2ccsc2C(=O)C(=NNc2ccc(Cl)cc2)S1(=O)=O
InChIInChI=1S/C13H10ClN3O3S2/c1-17-10-6-7-21-12(10)11(18)13(22(17,19)20)16-15-9-4-2-8(14)3-5-9/h2-7,15H,1H3
InChIKeyOZMVDOREBOZLHR-UHFFFAOYSA-N
XLogP2.79
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-Methyl-2,2-dioxo-3-[[3-(trifluoromethyl)phenyl]hydrazinylidene]thieno[3,2-c]thiazin-4-one
CID 2820510
3-[(2-Chlorophenylamino)methylene]-1-methyl-2,2-dioxo-2,3-dihydro-1H-2lambda(6)-thieno[3,2-c][1,2]thiazin-4-one
CID 2820477
(3Z)-3-[(3-chloroanilino)methylidene]-1-methyl-2,2-dioxothieno[3,2-c]thiazin-4-one
CID 2820478
(3Z)-1-methyl-2,2-dioxo-3-[[3-(trifluoromethyl)phenyl]hydrazinylidene]thieno[3,2-c]thiazin-4-one
CID 5715669
(3E)-1-methyl-2,2-dioxo-3-[[3-(trifluoromethyl)phenyl]hydrazinylidene]thieno[3,2-c]thiazin-4-one
CID 9584299
(3Z)-3-[(3-chloro-4-fluoroanilino)-sulfanylmethylidene]-1-methyl-2,2-dioxothieno[3,2-c]thiazin-4-one
CID 7085954
(3E)-3-[(4-chlorophenyl)hydrazinylidene]-1-methyl-2,2-dioxothieno[3,2-c]thiazin-4-one
CID 9584297
(3E)-3-[(2-chlorophenyl)hydrazinylidene]-1-methyl-2,2-dioxothieno[3,2-c]thiazin-4-one
CID 9584298
3-[(2-Chloroanilino)methylidene]-1-methyl-2,2-dioxothieno[3,2-c]thiazin-4-one
CID 629264
3-[(2-Chlorophenyl)hydrazinylidene]-1-methyl-2,2-dioxothieno[3,2-c]thiazin-4-one
CID 2820509
3-[(3-Chloroanilino)methylidene]-1-methyl-2,2-dioxothieno[3,2-c]thiazin-4-one
CID 3705393
(3Z)-3-[(4-chlorophenyl)hydrazinylidene]-1-methyl-2,2-dioxothieno[3,2-c]thiazin-4-one
CID 5715667

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)hydrazinylidene]-1-methyl-2,2-dioxothieno[3,2-c]thiazin-4-one?
The IUPAC name of 3-[(4-chlorophenyl)hydrazinylidene]-1-methyl-2,2-dioxothieno[3,2-c]thiazin-4-one (CID 2820508) is 3-[(4-chlorophenyl)hydrazinylidene]-1-methyl-2,2-dioxothieno[3,2-c]thiazin-4-one.
What is the SMILES notation for 3-[(4-chlorophenyl)hydrazinylidene]-1-methyl-2,2-dioxothieno[3,2-c]thiazin-4-one?
The canonical SMILES for 3-[(4-chlorophenyl)hydrazinylidene]-1-methyl-2,2-dioxothieno[3,2-c]thiazin-4-one is CN1c2ccsc2C(=O)C(=NNc2ccc(Cl)cc2)S1(=O)=O.
What is the InChIKey of 3-[(4-chlorophenyl)hydrazinylidene]-1-methyl-2,2-dioxothieno[3,2-c]thiazin-4-one?
The InChIKey is OZMVDOREBOZLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O3S2/c1-17-10-6-7-21-12(10)11(18)13(22(17,19)20)16-15-9-4-2-8(14)3-5-9/h2-7,15H,1H3.
What are the key properties of 3-[(4-chlorophenyl)hydrazinylidene]-1-methyl-2,2-dioxothieno[3,2-c]thiazin-4-one?
3-[(4-chlorophenyl)hydrazinylidene]-1-methyl-2,2-dioxothieno[3,2-c]thiazin-4-one has a molecular weight of 355.83 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)hydrazinylidene]-1-methyl-2,2-dioxothieno[3,2-c]thiazin-4-one is sourced from PubChem (CID 2820508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).