dimethyl [3-methyl-2-[[5-methyl-3-(2-methylprop-2-enyl)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl] phosphate

C14H21N4O6PS2 — CID 54256974

IUPACdimethyl [3-methyl-2-[[5-methyl-3-(2-methylprop-2-enyl)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl] phosphate
SMILESC=C(C)CN1C(=O)C(C)SC1=NN=C1SC(OP(=O)(OC)OC)C(=O)N1C
InChIInChI=1S/C14H21N4O6PS2/c1-8(2)7-18-10(19)9(3)26-14(18)16-15-13-17(4)11(20)12(27-13)24-25(21,22-5)23-6/h9,12H,1,7H2,2-6H3
InChIKeyRATJGWYKGOENRJ-UHFFFAOYSA-N
MW436.45 g/mol
LogP2.10
Rot. Bonds7

About dimethyl [3-methyl-2-[[5-methyl-3-(2-methylprop-2-enyl)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl] phosphate

dimethyl [3-methyl-2-[[5-methyl-3-(2-methylprop-2-enyl)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl] phosphate (PubChem CID 54256974) has the molecular formula C14H21N4O6PS2 and a molecular weight of 436.45 g/mol. Its IUPAC name is dimethyl [3-methyl-2-[[5-methyl-3-(2-methylprop-2-enyl)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl] phosphate.

Molecular Properties

Compound Namedimethyl [3-methyl-2-[[5-methyl-3-(2-methylprop-2-enyl)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl] phosphate
PubChem CID54256974
Molecular FormulaC14H21N4O6PS2
Molecular Weight436.45 g/mol
Exact Mass436.06
IUPAC Namedimethyl [3-methyl-2-[[5-methyl-3-(2-methylprop-2-enyl)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl] phosphate
SMILESC=C(C)CN1C(=O)C(C)SC1=NN=C1SC(OP(=O)(OC)OC)C(=O)N1C
InChIInChI=1S/C14H21N4O6PS2/c1-8(2)7-18-10(19)9(3)26-14(18)16-15-13-17(4)11(20)12(27-13)24-25(21,22-5)23-6/h9,12H,1,7H2,2-6H3
InChIKeyRATJGWYKGOENRJ-UHFFFAOYSA-N
XLogP2.10
TPSA110.10 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.45
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze dimethyl [3-methyl-2-[[5-methyl-3-(2-methylprop-2-enyl)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl] phosphate 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

methyl [(2E)-3-methyl-2-[(E)-[5-methyl-3-(2-methylprop-2-enyl)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl] hydrogen phosphate
CID 6913120
tris[[(2E)-3-methyl-2-[(E)-(5-methyl-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)hydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]methyl] phosphate
CID 88688026
(2E)-5-(hydroxymethyl)-2-[(E)-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]-3-(2-methylprop-2-enyl)-1,3-thiazolidin-4-one
CID 19802678
methane;5-methyl-2-[(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one;phosphoric acid
CID 173425059
7-amino-2-methyl-4-(2-methylprop-2-enyl)-1,4-benzothiazin-3-one
CID 84615543
[(3,5-dimethyl-4-oxo-1,3-thiazolidin-2-ylidene)amino] N-methylcarbamate
CID 54328268
(2Z,5R)-3-benzyl-2-[(Z)-(4-methoxyphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 7404039
2-[(4-bromophenyl)methylidenehydrazinylidene]-3-[(4-methoxyphenyl)methyl]-5-methyl-1,3-thiazolidin-4-one
CID 3608730
(2Z)-3-[(4-fluorophenyl)methyl]-2-[(E)-(4-methoxyphenyl)methylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
CID 46861400
2-[(4-methoxyphenyl)methylidenehydrazinylidene]-5-methyl-3-[(2-methylphenyl)methyl]-1,3-thiazolidin-4-one
CID 5165972
6-(2-methoxyethyl)-4,7-dimethyl-2-(2-methylprop-2-enyl)-9aH-purino[7,8-a]imidazol-9-ium-1,3-dione
CID 78305242
3-ethyl-6-methyl-1-(2-methylprop-2-enyl)piperazine-2,5-dione
CID 114619332

Frequently Asked Questions

What is the IUPAC name of dimethyl [3-methyl-2-[[5-methyl-3-(2-methylprop-2-enyl)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl] phosphate?
The IUPAC name of dimethyl [3-methyl-2-[[5-methyl-3-(2-methylprop-2-enyl)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl] phosphate (CID 54256974) is dimethyl [3-methyl-2-[[5-methyl-3-(2-methylprop-2-enyl)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl] phosphate.
What is the SMILES notation for dimethyl [3-methyl-2-[[5-methyl-3-(2-methylprop-2-enyl)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl] phosphate?
The canonical SMILES for dimethyl [3-methyl-2-[[5-methyl-3-(2-methylprop-2-enyl)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl] phosphate is C=C(C)CN1C(=O)C(C)SC1=NN=C1SC(OP(=O)(OC)OC)C(=O)N1C.
What is the InChIKey of dimethyl [3-methyl-2-[[5-methyl-3-(2-methylprop-2-enyl)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl] phosphate?
The InChIKey is RATJGWYKGOENRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N4O6PS2/c1-8(2)7-18-10(19)9(3)26-14(18)16-15-13-17(4)11(20)12(27-13)24-25(21,22-5)23-6/h9,12H,1,7H2,2-6H3.
What are the key properties of dimethyl [3-methyl-2-[[5-methyl-3-(2-methylprop-2-enyl)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl] phosphate?
dimethyl [3-methyl-2-[[5-methyl-3-(2-methylprop-2-enyl)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl] phosphate has a molecular weight of 436.45 g/mol, XLogP of 2.10, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl [3-methyl-2-[[5-methyl-3-(2-methylprop-2-enyl)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl] phosphate is sourced from PubChem (CID 54256974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).