2-[(2-methylphenyl)hydrazinylidene]-3-oxo-3-pyrrolidin-1-ylpropanethioamide

C14H18N4OS — CID 4873353

IUPAC2-[(2-methylphenyl)hydrazinylidene]-3-oxo-3-pyrrolidin-1-ylpropanethioamide
SMILESCc1ccccc1NN=C(C(=O)N1CCCC1)C(N)=S
InChIInChI=1S/C14H18N4OS/c1-10-6-2-3-7-11(10)16-17-12(13(15)20)14(19)18-8-4-5-9-18/h2-3,6-7,16H,4-5,8-9H2,1H3,(H2,15,20)
InChIKeyWJRSNOWQGLYMTL-UHFFFAOYSA-N
MW290.39 g/mol
LogP1.67
Rot. Bonds4

About 2-[(2-methylphenyl)hydrazinylidene]-3-oxo-3-pyrrolidin-1-ylpropanethioamide

2-[(2-methylphenyl)hydrazinylidene]-3-oxo-3-pyrrolidin-1-ylpropanethioamide (PubChem CID 4873353) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-[(2-methylphenyl)hydrazinylidene]-3-oxo-3-pyrrolidin-1-ylpropanethioamide.

Molecular Properties

Compound Name2-[(2-methylphenyl)hydrazinylidene]-3-oxo-3-pyrrolidin-1-ylpropanethioamide
PubChem CID4873353
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name2-[(2-methylphenyl)hydrazinylidene]-3-oxo-3-pyrrolidin-1-ylpropanethioamide
SMILESCc1ccccc1NN=C(C(=O)N1CCCC1)C(N)=S
InChIInChI=1S/C14H18N4OS/c1-10-6-2-3-7-11(10)16-17-12(13(15)20)14(19)18-8-4-5-9-18/h2-3,6-7,16H,4-5,8-9H2,1H3,(H2,15,20)
InChIKeyWJRSNOWQGLYMTL-UHFFFAOYSA-N
XLogP1.67
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 51.67
H-Bond Donors ≤ 52
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'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(2Z)-2-[(2-fluorophenyl)hydrazinylidene]-3-oxo-3-pyrrolidin-1-ylpropanethioamide
CID 6223188
(2Z)-2-[(3-chloro-2-methylphenyl)hydrazinylidene]-3-oxo-3-pyrrolidin-1-ylpropanethioamide
CID 6223114
N'-(2-methylanilino)azepane-1-carboximidamide
CID 10037578
N-[4-[(2E)-2-(1-amino-3-oxo-3-pyrrolidin-1-yl-1-sulfanylidenepropan-2-ylidene)hydrazinyl]phenyl]acetamide
CID 6223227
(2Z)-2-[(2,5-dichlorophenyl)hydrazinylidene]-3-oxo-3-pyrrolidin-1-ylpropanethioamide
CID 6223236
(2Z)-2-[(2,3-dichlorophenyl)hydrazinylidene]-3-(4-methylpiperazin-1-yl)-3-oxopropanethioamide
CID 6223209
(2Z)-2-[(4-chlorophenyl)hydrazinylidene]-3-oxo-3-pyrrolidin-1-ylpropanethioamide
CID 6389425
(3S)-1-[(2-methylphenyl)carbamothioyl]piperidine-3-carboxamide
CID 8628888
4-[(2E)-2-[1-amino-3-(4-methylpiperazin-1-yl)-3-oxo-1-sulfanylidenepropan-2-ylidene]hydrazinyl]benzamide
CID 6223267
N-(2-methylphenyl)azepane-1-carboxamide
CID 19165583
(2E)-2-[(3-chlorophenyl)hydrazinylidene]-3-morpholin-4-yl-3-oxopropanethioamide
CID 6532729
N-[(2-methylanilino)-phenylmethylidene]piperidine-1-carbothioamide
CID 3166053

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylphenyl)hydrazinylidene]-3-oxo-3-pyrrolidin-1-ylpropanethioamide?
The IUPAC name of 2-[(2-methylphenyl)hydrazinylidene]-3-oxo-3-pyrrolidin-1-ylpropanethioamide (CID 4873353) is 2-[(2-methylphenyl)hydrazinylidene]-3-oxo-3-pyrrolidin-1-ylpropanethioamide.
What is the SMILES notation for 2-[(2-methylphenyl)hydrazinylidene]-3-oxo-3-pyrrolidin-1-ylpropanethioamide?
The canonical SMILES for 2-[(2-methylphenyl)hydrazinylidene]-3-oxo-3-pyrrolidin-1-ylpropanethioamide is Cc1ccccc1NN=C(C(=O)N1CCCC1)C(N)=S.
What is the InChIKey of 2-[(2-methylphenyl)hydrazinylidene]-3-oxo-3-pyrrolidin-1-ylpropanethioamide?
The InChIKey is WJRSNOWQGLYMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-10-6-2-3-7-11(10)16-17-12(13(15)20)14(19)18-8-4-5-9-18/h2-3,6-7,16H,4-5,8-9H2,1H3,(H2,15,20).
What are the key properties of 2-[(2-methylphenyl)hydrazinylidene]-3-oxo-3-pyrrolidin-1-ylpropanethioamide?
2-[(2-methylphenyl)hydrazinylidene]-3-oxo-3-pyrrolidin-1-ylpropanethioamide has a molecular weight of 290.39 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylphenyl)hydrazinylidene]-3-oxo-3-pyrrolidin-1-ylpropanethioamide is sourced from PubChem (CID 4873353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).