(2Z)-2-[(3,4-dimethylphenyl)hydrazinylidene]-3-morpholin-4-yl-3-oxopropanethioamide

C15H20N4O2S — CID 6223223

IUPAC(2Z)-2-[(3,4-dimethylphenyl)hydrazinylidene]-3-morpholin-4-yl-3-oxopropanethioamide
SMILESCc1ccc(N/N=C(/C(=O)N2CCOCC2)C(N)=S)cc1C
InChIInChI=1S/C15H20N4O2S/c1-10-3-4-12(9-11(10)2)17-18-13(14(16)22)15(20)19-5-7-21-8-6-19/h3-4,9,17H,5-8H2,1-2H3,(H2,16,22)/b18-13+
InChIKeyUINNDWQPFFTWJJ-QGOAFFKASA-N
MW320.42 g/mol
LogP1.22
Rot. Bonds4

About (2Z)-2-[(3,4-dimethylphenyl)hydrazinylidene]-3-morpholin-4-yl-3-oxopropanethioamide

(2Z)-2-[(3,4-dimethylphenyl)hydrazinylidene]-3-morpholin-4-yl-3-oxopropanethioamide (PubChem CID 6223223) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is (2Z)-2-[(3,4-dimethylphenyl)hydrazinylidene]-3-morpholin-4-yl-3-oxopropanethioamide.

Molecular Properties

Compound Name(2Z)-2-[(3,4-dimethylphenyl)hydrazinylidene]-3-morpholin-4-yl-3-oxopropanethioamide
PubChem CID6223223
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Name(2Z)-2-[(3,4-dimethylphenyl)hydrazinylidene]-3-morpholin-4-yl-3-oxopropanethioamide
SMILESCc1ccc(N/N=C(/C(=O)N2CCOCC2)C(N)=S)cc1C
InChIInChI=1S/C15H20N4O2S/c1-10-3-4-12(9-11(10)2)17-18-13(14(16)22)15(20)19-5-7-21-8-6-19/h3-4,9,17H,5-8H2,1-2H3,(H2,16,22)/b18-13+
InChIKeyUINNDWQPFFTWJJ-QGOAFFKASA-N
XLogP1.22
TPSA79.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 51.22
H-Bond Donors ≤ 52
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'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(2E)-2-[(3-chlorophenyl)hydrazinylidene]-3-morpholin-4-yl-3-oxopropanethioamide
CID 6532729
N-[4-[(2E)-2-(1-amino-3-oxo-3-pyrrolidin-1-yl-1-sulfanylidenepropan-2-ylidene)hydrazinyl]phenyl]acetamide
CID 6223227
(2Z)-2-[(4-chlorophenyl)hydrazinylidene]-3-oxo-3-pyrrolidin-1-ylpropanethioamide
CID 6389425
4-[(2E)-2-[1-amino-3-(4-methylpiperazin-1-yl)-3-oxo-1-sulfanylidenepropan-2-ylidene]hydrazinyl]benzamide
CID 6223267
2-[(2-methylphenyl)hydrazinylidene]-3-oxo-3-pyrrolidin-1-ylpropanethioamide
CID 4873353
1-(3,4-dimethylphenyl)-2-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)guanidine;hydroiodide
CID 111099881
(2Z)-2-[(3-chloro-2-methylphenyl)hydrazinylidene]-3-oxo-3-pyrrolidin-1-ylpropanethioamide
CID 6223114
N-(3,4-dimethylphenyl)-1-(morpholine-4-carbonyl)cyclopropane-1-carboxamide
CID 108973116
N-(4-methoxy-3-methylphenyl)morpholine-4-carboxamide
CID 47322511
(2Z)-2-[(2,5-dichlorophenyl)hydrazinylidene]-3-oxo-3-pyrrolidin-1-ylpropanethioamide
CID 6223236
(2Z)-2-[(2-fluorophenyl)hydrazinylidene]-3-oxo-3-pyrrolidin-1-ylpropanethioamide
CID 6223188
N-(3,4-dimethylphenyl)-4-(2-morpholin-4-ylphenyl)piperazine-1-carboxamide
CID 113111700

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(3,4-dimethylphenyl)hydrazinylidene]-3-morpholin-4-yl-3-oxopropanethioamide?
The IUPAC name of (2Z)-2-[(3,4-dimethylphenyl)hydrazinylidene]-3-morpholin-4-yl-3-oxopropanethioamide (CID 6223223) is (2Z)-2-[(3,4-dimethylphenyl)hydrazinylidene]-3-morpholin-4-yl-3-oxopropanethioamide.
What is the SMILES notation for (2Z)-2-[(3,4-dimethylphenyl)hydrazinylidene]-3-morpholin-4-yl-3-oxopropanethioamide?
The canonical SMILES for (2Z)-2-[(3,4-dimethylphenyl)hydrazinylidene]-3-morpholin-4-yl-3-oxopropanethioamide is Cc1ccc(N/N=C(/C(=O)N2CCOCC2)C(N)=S)cc1C.
What is the InChIKey of (2Z)-2-[(3,4-dimethylphenyl)hydrazinylidene]-3-morpholin-4-yl-3-oxopropanethioamide?
The InChIKey is UINNDWQPFFTWJJ-QGOAFFKASA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-10-3-4-12(9-11(10)2)17-18-13(14(16)22)15(20)19-5-7-21-8-6-19/h3-4,9,17H,5-8H2,1-2H3,(H2,16,22)/b18-13+.
What are the key properties of (2Z)-2-[(3,4-dimethylphenyl)hydrazinylidene]-3-morpholin-4-yl-3-oxopropanethioamide?
(2Z)-2-[(3,4-dimethylphenyl)hydrazinylidene]-3-morpholin-4-yl-3-oxopropanethioamide has a molecular weight of 320.42 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(3,4-dimethylphenyl)hydrazinylidene]-3-morpholin-4-yl-3-oxopropanethioamide is sourced from PubChem (CID 6223223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).