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

C14H17ClN4OS — CID 6223114

IUPAC(2Z)-2-[(3-chloro-2-methylphenyl)hydrazinylidene]-3-oxo-3-pyrrolidin-1-ylpropanethioamide
SMILESCc1c(Cl)cccc1N/N=C(/C(=O)N1CCCC1)C(N)=S
InChIInChI=1S/C14H17ClN4OS/c1-9-10(15)5-4-6-11(9)17-18-12(13(16)21)14(20)19-7-2-3-8-19/h4-6,17H,2-3,7-8H2,1H3,(H2,16,21)/b18-12+
InChIKeyWUYYFYLBQBPFJY-LDADJPATSA-N
MW324.84 g/mol
LogP2.32
Rot. Bonds4

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

(2Z)-2-[(3-chloro-2-methylphenyl)hydrazinylidene]-3-oxo-3-pyrrolidin-1-ylpropanethioamide (PubChem CID 6223114) has the molecular formula C14H17ClN4OS and a molecular weight of 324.84 g/mol. Its IUPAC name is (2Z)-2-[(3-chloro-2-methylphenyl)hydrazinylidene]-3-oxo-3-pyrrolidin-1-ylpropanethioamide.

Molecular Properties

Compound Name(2Z)-2-[(3-chloro-2-methylphenyl)hydrazinylidene]-3-oxo-3-pyrrolidin-1-ylpropanethioamide
PubChem CID6223114
Molecular FormulaC14H17ClN4OS
Molecular Weight324.84 g/mol
Exact Mass324.08
IUPAC Name(2Z)-2-[(3-chloro-2-methylphenyl)hydrazinylidene]-3-oxo-3-pyrrolidin-1-ylpropanethioamide
SMILESCc1c(Cl)cccc1N/N=C(/C(=O)N1CCCC1)C(N)=S
InChIInChI=1S/C14H17ClN4OS/c1-9-10(15)5-4-6-11(9)17-18-12(13(16)21)14(20)19-7-2-3-8-19/h4-6,17H,2-3,7-8H2,1H3,(H2,16,21)/b18-12+
InChIKeyWUYYFYLBQBPFJY-LDADJPATSA-N
XLogP2.32
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.84
LogP ≤ 52.32
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

2-[(2-methylphenyl)hydrazinylidene]-3-oxo-3-pyrrolidin-1-ylpropanethioamide
CID 4873353
(2Z)-2-[(2,3-dichlorophenyl)hydrazinylidene]-3-(4-methylpiperazin-1-yl)-3-oxopropanethioamide
CID 6223209
(2Z)-2-[(2,5-dichlorophenyl)hydrazinylidene]-3-oxo-3-pyrrolidin-1-ylpropanethioamide
CID 6223236
2-(azepan-1-yl)-N-(3-chloro-2-methylphenyl)-2-oxoacetamide
CID 47335495
(1Z)-1-[(3-chloro-2-methylphenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one
CID 6537731
(2E)-2-[(3-chlorophenyl)hydrazinylidene]-3-morpholin-4-yl-3-oxopropanethioamide
CID 6532729
2-(3-chloro-2-methylanilino)-1,1-dimethylguanidine
CID 10036665
1-(3-chloro-2-methylphenyl)-3-[4-(pyrrolidine-1-carbonyl)phenyl]thiourea
CID 17299419
(2S)-1-[(3-chloro-2-methylphenyl)carbamothioyl]piperidine-2-carboxamide
CID 8675882
4-[(2E)-2-[1-amino-3-(4-methylpiperazin-1-yl)-3-oxo-1-sulfanylidenepropan-2-ylidene]hydrazinyl]benzamide
CID 6223267
1-[(3-chloro-2-methylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318390
ethyl (3R)-1-[(3-chloro-2-methylphenyl)carbamothioyl]piperidine-3-carboxylate
CID 899552

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(3-chloro-2-methylphenyl)hydrazinylidene]-3-oxo-3-pyrrolidin-1-ylpropanethioamide?
The IUPAC name of (2Z)-2-[(3-chloro-2-methylphenyl)hydrazinylidene]-3-oxo-3-pyrrolidin-1-ylpropanethioamide (CID 6223114) is (2Z)-2-[(3-chloro-2-methylphenyl)hydrazinylidene]-3-oxo-3-pyrrolidin-1-ylpropanethioamide.
What is the SMILES notation for (2Z)-2-[(3-chloro-2-methylphenyl)hydrazinylidene]-3-oxo-3-pyrrolidin-1-ylpropanethioamide?
The canonical SMILES for (2Z)-2-[(3-chloro-2-methylphenyl)hydrazinylidene]-3-oxo-3-pyrrolidin-1-ylpropanethioamide is Cc1c(Cl)cccc1N/N=C(/C(=O)N1CCCC1)C(N)=S.
What is the InChIKey of (2Z)-2-[(3-chloro-2-methylphenyl)hydrazinylidene]-3-oxo-3-pyrrolidin-1-ylpropanethioamide?
The InChIKey is WUYYFYLBQBPFJY-LDADJPATSA-N. The full InChI is InChI=1S/C14H17ClN4OS/c1-9-10(15)5-4-6-11(9)17-18-12(13(16)21)14(20)19-7-2-3-8-19/h4-6,17H,2-3,7-8H2,1H3,(H2,16,21)/b18-12+.
What are the key properties of (2Z)-2-[(3-chloro-2-methylphenyl)hydrazinylidene]-3-oxo-3-pyrrolidin-1-ylpropanethioamide?
(2Z)-2-[(3-chloro-2-methylphenyl)hydrazinylidene]-3-oxo-3-pyrrolidin-1-ylpropanethioamide has a molecular weight of 324.84 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(3-chloro-2-methylphenyl)hydrazinylidene]-3-oxo-3-pyrrolidin-1-ylpropanethioamide is sourced from PubChem (CID 6223114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).