1-N'-(benzenecarbonothioyl)-3-N'-ethyl-1-N'-methyl-3-N'-(pyridine-4-carbothioyl)propanedihydrazide

C19H21N5O2S2 — CID 58534595

IUPAC1-N'-(benzenecarbonothioyl)-3-N'-ethyl-1-N'-methyl-3-N'-(pyridine-4-carbothioyl)propanedihydrazide
SMILESCCN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccncc1
InChIInChI=1S/C19H21N5O2S2/c1-3-24(19(28)15-9-11-20-12-10-15)22-17(26)13-16(25)21-23(2)18(27)14-7-5-4-6-8-14/h4-12H,3,13H2,1-2H3,(H,21,25)(H,22,26)
InChIKeySVWJRFBCZYAHEE-UHFFFAOYSA-N
MW415.54 g/mol
LogP1.84
Rot. Bonds5

About 1-N'-(benzenecarbonothioyl)-3-N'-ethyl-1-N'-methyl-3-N'-(pyridine-4-carbothioyl)propanedihydrazide

1-N'-(benzenecarbonothioyl)-3-N'-ethyl-1-N'-methyl-3-N'-(pyridine-4-carbothioyl)propanedihydrazide (PubChem CID 58534595) has the molecular formula C19H21N5O2S2 and a molecular weight of 415.54 g/mol. Its IUPAC name is 1-N'-(benzenecarbonothioyl)-3-N'-ethyl-1-N'-methyl-3-N'-(pyridine-4-carbothioyl)propanedihydrazide.

Molecular Properties

Compound Name1-N'-(benzenecarbonothioyl)-3-N'-ethyl-1-N'-methyl-3-N'-(pyridine-4-carbothioyl)propanedihydrazide
PubChem CID58534595
Molecular FormulaC19H21N5O2S2
Molecular Weight415.54 g/mol
Exact Mass415.11
IUPAC Name1-N'-(benzenecarbonothioyl)-3-N'-ethyl-1-N'-methyl-3-N'-(pyridine-4-carbothioyl)propanedihydrazide
SMILESCCN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccncc1
InChIInChI=1S/C19H21N5O2S2/c1-3-24(19(28)15-9-11-20-12-10-15)22-17(26)13-16(25)21-23(2)18(27)14-7-5-4-6-8-14/h4-12H,3,13H2,1-2H3,(H,21,25)(H,22,26)
InChIKeySVWJRFBCZYAHEE-UHFFFAOYSA-N
XLogP1.84
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', '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

3-N'-(benzenecarbonothioyl)-1-N',3-N'-dimethyl-1-N'-(1-phenylethenyl)propanedihydrazide
CID 143634327
3-[2-(benzenecarbonothioyl)-2-methylhydrazinyl]-3-oxopropanamide
CID 89295759
1-N',3-N'-bis(benzenecarbonothioyl)-1-N',3-N'-dimethyl-2-methylidenepropanedihydrazide
CID 58532633
1-N',3-N'-bis(benzenecarbonothioyl)-1-N',3-N'-diethyl-2-methylpropanedihydrazide;ethane
CID 143634366
3-N'-(benzenecarbonothioyl)-3-N'-methyl-1-N'-(2-methylbenzenecarbothioyl)propanedihydrazide
CID 87273939
3-N'-(benzenecarbonothioyl)-1-N'-(cyclohexa-1,3-diene-1-carbothioyl)-1-N',3-N'-dimethylpropanedihydrazide
CID 89295743
CID 159813753
CID 159813753
2-[2-(benzenecarbonothioyl)-2-methylhydrazinyl]-N-(2-methyl-4-sulfanylidenepyrido[3,4-d]pyrimidin-3-yl)-2-oxoethanesulfonamide
CID 87109102
3-N',4-N'-bis(benzenecarbonothioyl)-3-N',4-N'-dimethyl-1H-pyrrole-3,4-dicarbohydrazide
CID 24938048
methyl N-[[2-[2-(benzenecarbonothioyl)-2-methylhydrazinyl]-2-oxoethyl]sulfonylamino]-N-methylcarbamodithioate
CID 87108726
1-(benzenecarbonothioyl)-3,3-diethyl-1-methylurea
CID 13184586
1-[benzenecarbonothioyl(methyl)amino]-3-[[benzenecarbonothioyl(methyl)amino]sulfamoyl]urea
CID 87484183

Frequently Asked Questions

What is the IUPAC name of 1-N'-(benzenecarbonothioyl)-3-N'-ethyl-1-N'-methyl-3-N'-(pyridine-4-carbothioyl)propanedihydrazide?
The IUPAC name of 1-N'-(benzenecarbonothioyl)-3-N'-ethyl-1-N'-methyl-3-N'-(pyridine-4-carbothioyl)propanedihydrazide (CID 58534595) is 1-N'-(benzenecarbonothioyl)-3-N'-ethyl-1-N'-methyl-3-N'-(pyridine-4-carbothioyl)propanedihydrazide.
What is the SMILES notation for 1-N'-(benzenecarbonothioyl)-3-N'-ethyl-1-N'-methyl-3-N'-(pyridine-4-carbothioyl)propanedihydrazide?
The canonical SMILES for 1-N'-(benzenecarbonothioyl)-3-N'-ethyl-1-N'-methyl-3-N'-(pyridine-4-carbothioyl)propanedihydrazide is CCN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c1ccncc1.
What is the InChIKey of 1-N'-(benzenecarbonothioyl)-3-N'-ethyl-1-N'-methyl-3-N'-(pyridine-4-carbothioyl)propanedihydrazide?
The InChIKey is SVWJRFBCZYAHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2S2/c1-3-24(19(28)15-9-11-20-12-10-15)22-17(26)13-16(25)21-23(2)18(27)14-7-5-4-6-8-14/h4-12H,3,13H2,1-2H3,(H,21,25)(H,22,26).
What are the key properties of 1-N'-(benzenecarbonothioyl)-3-N'-ethyl-1-N'-methyl-3-N'-(pyridine-4-carbothioyl)propanedihydrazide?
1-N'-(benzenecarbonothioyl)-3-N'-ethyl-1-N'-methyl-3-N'-(pyridine-4-carbothioyl)propanedihydrazide has a molecular weight of 415.54 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(benzenecarbonothioyl)-3-N'-ethyl-1-N'-methyl-3-N'-(pyridine-4-carbothioyl)propanedihydrazide is sourced from PubChem (CID 58534595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).