1-N',3-N'-bis[3-(dimethylamino)benzenecarbothioyl]-1-N',3-N'-dimethylpropanedihydrazide

C23H30N6O2S2 — CID 10228040

IUPAC1-N',3-N'-bis[3-(dimethylamino)benzenecarbothioyl]-1-N',3-N'-dimethylpropanedihydrazide
SMILESCN(NC(=O)CC(=O)NN(C)C(=S)c1cccc(N(C)C)c1)C(=S)c1cccc(N(C)C)c1
InChIInChI=1S/C23H30N6O2S2/c1-26(2)18-11-7-9-16(13-18)22(32)28(5)24-20(30)15-21(31)25-29(6)23(33)17-10-8-12-19(14-17)27(3)4/h7-14H,15H2,1-6H3,(H,24,30)(H,25,31)
InChIKeyDXROKKJPKSDRDG-UHFFFAOYSA-N
MW486.67 g/mol
LogP2.19
Rot. Bonds6

About 1-N',3-N'-bis[3-(dimethylamino)benzenecarbothioyl]-1-N',3-N'-dimethylpropanedihydrazide

1-N',3-N'-bis[3-(dimethylamino)benzenecarbothioyl]-1-N',3-N'-dimethylpropanedihydrazide (PubChem CID 10228040) has the molecular formula C23H30N6O2S2 and a molecular weight of 486.67 g/mol. Its IUPAC name is 1-N',3-N'-bis[3-(dimethylamino)benzenecarbothioyl]-1-N',3-N'-dimethylpropanedihydrazide.

Molecular Properties

Compound Name1-N',3-N'-bis[3-(dimethylamino)benzenecarbothioyl]-1-N',3-N'-dimethylpropanedihydrazide
PubChem CID10228040
Molecular FormulaC23H30N6O2S2
Molecular Weight486.67 g/mol
Exact Mass486.19
IUPAC Name1-N',3-N'-bis[3-(dimethylamino)benzenecarbothioyl]-1-N',3-N'-dimethylpropanedihydrazide
SMILESCN(NC(=O)CC(=O)NN(C)C(=S)c1cccc(N(C)C)c1)C(=S)c1cccc(N(C)C)c1
InChIInChI=1S/C23H30N6O2S2/c1-26(2)18-11-7-9-16(13-18)22(32)28(5)24-20(30)15-21(31)25-29(6)23(33)17-10-8-12-19(14-17)27(3)4/h7-14H,15H2,1-6H3,(H,24,30)(H,25,31)
InChIKeyDXROKKJPKSDRDG-UHFFFAOYSA-N
XLogP2.19
TPSA71.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.67
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of 1-N',3-N'-bis[3-(dimethylamino)benzenecarbothioyl]-1-N',3-N'-dimethylpropanedihydrazide?
The IUPAC name of 1-N',3-N'-bis[3-(dimethylamino)benzenecarbothioyl]-1-N',3-N'-dimethylpropanedihydrazide (CID 10228040) is 1-N',3-N'-bis[3-(dimethylamino)benzenecarbothioyl]-1-N',3-N'-dimethylpropanedihydrazide.
What is the SMILES notation for 1-N',3-N'-bis[3-(dimethylamino)benzenecarbothioyl]-1-N',3-N'-dimethylpropanedihydrazide?
The canonical SMILES for 1-N',3-N'-bis[3-(dimethylamino)benzenecarbothioyl]-1-N',3-N'-dimethylpropanedihydrazide is CN(NC(=O)CC(=O)NN(C)C(=S)c1cccc(N(C)C)c1)C(=S)c1cccc(N(C)C)c1.
What is the InChIKey of 1-N',3-N'-bis[3-(dimethylamino)benzenecarbothioyl]-1-N',3-N'-dimethylpropanedihydrazide?
The InChIKey is DXROKKJPKSDRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O2S2/c1-26(2)18-11-7-9-16(13-18)22(32)28(5)24-20(30)15-21(31)25-29(6)23(33)17-10-8-12-19(14-17)27(3)4/h7-14H,15H2,1-6H3,(H,24,30)(H,25,31).
What are the key properties of 1-N',3-N'-bis[3-(dimethylamino)benzenecarbothioyl]-1-N',3-N'-dimethylpropanedihydrazide?
1-N',3-N'-bis[3-(dimethylamino)benzenecarbothioyl]-1-N',3-N'-dimethylpropanedihydrazide has a molecular weight of 486.67 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N',3-N'-bis[3-(dimethylamino)benzenecarbothioyl]-1-N',3-N'-dimethylpropanedihydrazide is sourced from PubChem (CID 10228040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).