(2Z)-2-[(4-chlorophenyl)hydrazinylidene]-3-oxo-3-pyrrolidin-1-ylpropanethioamide

C13H15ClN4OS — CID 6389425

IUPAC(2Z)-2-[(4-chlorophenyl)hydrazinylidene]-3-oxo-3-pyrrolidin-1-ylpropanethioamide
SMILESNC(=S)/C(=N\Nc1ccc(Cl)cc1)C(=O)N1CCCC1
InChIInChI=1S/C13H15ClN4OS/c14-9-3-5-10(6-4-9)16-17-11(12(15)20)13(19)18-7-1-2-8-18/h3-6,16H,1-2,7-8H2,(H2,15,20)/b17-11+
InChIKeyNGOQAHDARRJWDN-GZTJUZNOSA-N
MW310.81 g/mol
LogP2.02
Rot. Bonds4

About (2Z)-2-[(4-chlorophenyl)hydrazinylidene]-3-oxo-3-pyrrolidin-1-ylpropanethioamide

(2Z)-2-[(4-chlorophenyl)hydrazinylidene]-3-oxo-3-pyrrolidin-1-ylpropanethioamide (PubChem CID 6389425) has the molecular formula C13H15ClN4OS and a molecular weight of 310.81 g/mol. Its IUPAC name is (2Z)-2-[(4-chlorophenyl)hydrazinylidene]-3-oxo-3-pyrrolidin-1-ylpropanethioamide.

Molecular Properties

Compound Name(2Z)-2-[(4-chlorophenyl)hydrazinylidene]-3-oxo-3-pyrrolidin-1-ylpropanethioamide
PubChem CID6389425
Molecular FormulaC13H15ClN4OS
Molecular Weight310.81 g/mol
Exact Mass310.07
IUPAC Name(2Z)-2-[(4-chlorophenyl)hydrazinylidene]-3-oxo-3-pyrrolidin-1-ylpropanethioamide
SMILESNC(=S)/C(=N\Nc1ccc(Cl)cc1)C(=O)N1CCCC1
InChIInChI=1S/C13H15ClN4OS/c14-9-3-5-10(6-4-9)16-17-11(12(15)20)13(19)18-7-1-2-8-18/h3-6,16H,1-2,7-8H2,(H2,15,20)/b17-11+
InChIKeyNGOQAHDARRJWDN-GZTJUZNOSA-N
XLogP2.02
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 52.02
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

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
N-(4-chlorophenyl)-2-oxo-2-piperidin-1-ylethanehydrazonoyl chloride
CID 76545643
(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
4-[(2E)-2-[1-amino-3-(4-methylpiperazin-1-yl)-3-oxo-1-sulfanylidenepropan-2-ylidene]hydrazinyl]benzamide
CID 6223267
(2E)-2-[(3-chlorophenyl)hydrazinylidene]-3-morpholin-4-yl-3-oxopropanethioamide
CID 6532729
(1E)-N-(4-chloroanilino)-2-oxo-2-pyrrolidin-1-ylethanimidoyl cyanide
CID 177461949
2-[(2-methylphenyl)hydrazinylidene]-3-oxo-3-pyrrolidin-1-ylpropanethioamide
CID 4873353
2-(4-chloroanilino)-1-(diaminomethylidene)guanidine;hydrochloride
CID 175205005
(1Z)-2-(4-chloroanilino)-N-(4-chlorophenyl)-2-oxoethanehydrazonoyl chloride
CID 15626985
N-[(E)-(4-chlorophenyl)methylideneamino]-2-oxo-2-piperidin-1-ylacetamide
CID 5333289

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(4-chlorophenyl)hydrazinylidene]-3-oxo-3-pyrrolidin-1-ylpropanethioamide?
The IUPAC name of (2Z)-2-[(4-chlorophenyl)hydrazinylidene]-3-oxo-3-pyrrolidin-1-ylpropanethioamide (CID 6389425) is (2Z)-2-[(4-chlorophenyl)hydrazinylidene]-3-oxo-3-pyrrolidin-1-ylpropanethioamide.
What is the SMILES notation for (2Z)-2-[(4-chlorophenyl)hydrazinylidene]-3-oxo-3-pyrrolidin-1-ylpropanethioamide?
The canonical SMILES for (2Z)-2-[(4-chlorophenyl)hydrazinylidene]-3-oxo-3-pyrrolidin-1-ylpropanethioamide is NC(=S)/C(=N\Nc1ccc(Cl)cc1)C(=O)N1CCCC1.
What is the InChIKey of (2Z)-2-[(4-chlorophenyl)hydrazinylidene]-3-oxo-3-pyrrolidin-1-ylpropanethioamide?
The InChIKey is NGOQAHDARRJWDN-GZTJUZNOSA-N. The full InChI is InChI=1S/C13H15ClN4OS/c14-9-3-5-10(6-4-9)16-17-11(12(15)20)13(19)18-7-1-2-8-18/h3-6,16H,1-2,7-8H2,(H2,15,20)/b17-11+.
What are the key properties of (2Z)-2-[(4-chlorophenyl)hydrazinylidene]-3-oxo-3-pyrrolidin-1-ylpropanethioamide?
(2Z)-2-[(4-chlorophenyl)hydrazinylidene]-3-oxo-3-pyrrolidin-1-ylpropanethioamide has a molecular weight of 310.81 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(4-chlorophenyl)hydrazinylidene]-3-oxo-3-pyrrolidin-1-ylpropanethioamide is sourced from PubChem (CID 6389425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).