2-[2-[3-(dimethylamino)propylcarbamothioyl]hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide

C15H23N5O2S — CID 9214234

IUPAC2-[2-[3-(dimethylamino)propylcarbamothioyl]hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide
SMILESCc1ccc(NC(=O)C(=O)NNC(=S)NCCCN(C)C)cc1
InChIInChI=1S/C15H23N5O2S/c1-11-5-7-12(8-6-11)17-13(21)14(22)18-19-15(23)16-9-4-10-20(2)3/h5-8H,4,9-10H2,1-3H3,(H,17,21)(H,18,22)(H2,16,19,23)
InChIKeyDQUJJJRFDJELMY-UHFFFAOYSA-N
MW337.45 g/mol
LogP0.38
Rot. Bonds5

About 2-[2-[3-(dimethylamino)propylcarbamothioyl]hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide

2-[2-[3-(dimethylamino)propylcarbamothioyl]hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide (PubChem CID 9214234) has the molecular formula C15H23N5O2S and a molecular weight of 337.45 g/mol. Its IUPAC name is 2-[2-[3-(dimethylamino)propylcarbamothioyl]hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-[2-[3-(dimethylamino)propylcarbamothioyl]hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide
PubChem CID9214234
Molecular FormulaC15H23N5O2S
Molecular Weight337.45 g/mol
Exact Mass337.16
IUPAC Name2-[2-[3-(dimethylamino)propylcarbamothioyl]hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide
SMILESCc1ccc(NC(=O)C(=O)NNC(=S)NCCCN(C)C)cc1
InChIInChI=1S/C15H23N5O2S/c1-11-5-7-12(8-6-11)17-13(21)14(22)18-19-15(23)16-9-4-10-20(2)3/h5-8H,4,9-10H2,1-3H3,(H,17,21)(H,18,22)(H2,16,19,23)
InChIKeyDQUJJJRFDJELMY-UHFFFAOYSA-N
XLogP0.38
TPSA85.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 50.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', '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

1-[3-(dimethylamino)propyl]-3-(4-methylphenyl)urea
CID 47103513
N-(3-hydroxypropyl)-N'-(4-methylphenyl)oxamide
CID 2247723
N-(6-hydroxyhexyl)-N'-(4-methylphenyl)oxamide
CID 103917957
2-[2-[(4-ethylphenyl)carbamothioyl]hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide
CID 9214150
N-[3-(dimethylamino)propyl]-N'-(4-nitrophenyl)oxamide
CID 7584694
N'-(3-chloro-4-methylphenyl)-N-[3-(dimethylamino)propyl]oxamide
CID 7585404
N'-(4-bromo-3-methylphenyl)-N-[3-(dimethylamino)propyl]oxamide
CID 47148089
1-N-[3-(dimethylamino)propyl]-4-N-(4-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109147286
N-(2-aminoethyl)-N'-(4-methylphenyl)oxamide
CID 43315800
1-(4-methylphenyl)-3-(propylcarbamothioylamino)thiourea
CID 7988089
N-[3-(dimethylamino)propyl]-2-(4-methylphenyl)acetamide
CID 4080384
1-[3-(diethylamino)propyl]-3-(4-methylphenyl)urea
CID 4604027

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(dimethylamino)propylcarbamothioyl]hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide?
The IUPAC name of 2-[2-[3-(dimethylamino)propylcarbamothioyl]hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide (CID 9214234) is 2-[2-[3-(dimethylamino)propylcarbamothioyl]hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide.
What is the SMILES notation for 2-[2-[3-(dimethylamino)propylcarbamothioyl]hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide?
The canonical SMILES for 2-[2-[3-(dimethylamino)propylcarbamothioyl]hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide is Cc1ccc(NC(=O)C(=O)NNC(=S)NCCCN(C)C)cc1.
What is the InChIKey of 2-[2-[3-(dimethylamino)propylcarbamothioyl]hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide?
The InChIKey is DQUJJJRFDJELMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2S/c1-11-5-7-12(8-6-11)17-13(21)14(22)18-19-15(23)16-9-4-10-20(2)3/h5-8H,4,9-10H2,1-3H3,(H,17,21)(H,18,22)(H2,16,19,23).
What are the key properties of 2-[2-[3-(dimethylamino)propylcarbamothioyl]hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide?
2-[2-[3-(dimethylamino)propylcarbamothioyl]hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide has a molecular weight of 337.45 g/mol, XLogP of 0.38, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(dimethylamino)propylcarbamothioyl]hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide is sourced from PubChem (CID 9214234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).