1-N',3-N'-bis(benzenecarbonothioyl)-1-N',3-N'-dimethyl-2-methylidenepropanedihydrazide

C20H20N4O2S2 — CID 58532633

IUPAC1-N',3-N'-bis(benzenecarbonothioyl)-1-N',3-N'-dimethyl-2-methylidenepropanedihydrazide
SMILESC=C(C(=O)NN(C)C(=S)c1ccccc1)C(=O)NN(C)C(=S)c1ccccc1
InChIInChI=1S/C20H20N4O2S2/c1-14(17(25)21-23(2)19(27)15-10-6-4-7-11-15)18(26)22-24(3)20(28)16-12-8-5-9-13-16/h4-13H,1H2,2-3H3,(H,21,25)(H,22,26)
InChIKeyHBZKXPPHQWFZGX-UHFFFAOYSA-N
MW412.54 g/mol
LogP2.22
Rot. Bonds4

About 1-N',3-N'-bis(benzenecarbonothioyl)-1-N',3-N'-dimethyl-2-methylidenepropanedihydrazide

1-N',3-N'-bis(benzenecarbonothioyl)-1-N',3-N'-dimethyl-2-methylidenepropanedihydrazide (PubChem CID 58532633) has the molecular formula C20H20N4O2S2 and a molecular weight of 412.54 g/mol. Its IUPAC name is 1-N',3-N'-bis(benzenecarbonothioyl)-1-N',3-N'-dimethyl-2-methylidenepropanedihydrazide.

Molecular Properties

Compound Name1-N',3-N'-bis(benzenecarbonothioyl)-1-N',3-N'-dimethyl-2-methylidenepropanedihydrazide
PubChem CID58532633
Molecular FormulaC20H20N4O2S2
Molecular Weight412.54 g/mol
Exact Mass412.10
IUPAC Name1-N',3-N'-bis(benzenecarbonothioyl)-1-N',3-N'-dimethyl-2-methylidenepropanedihydrazide
SMILESC=C(C(=O)NN(C)C(=S)c1ccccc1)C(=O)NN(C)C(=S)c1ccccc1
InChIInChI=1S/C20H20N4O2S2/c1-14(17(25)21-23(2)19(27)15-10-6-4-7-11-15)18(26)22-24(3)20(28)16-12-8-5-9-13-16/h4-13H,1H2,2-3H3,(H,21,25)(H,22,26)
InChIKeyHBZKXPPHQWFZGX-UHFFFAOYSA-N
XLogP2.22
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', '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
3-N',4-N'-bis(benzenecarbonothioyl)-3-N',4-N'-dimethyl-1H-pyrrole-3,4-dicarbohydrazide
CID 24938048
1-[benzenecarbonothioyl(methyl)amino]-3-[[benzenecarbonothioyl(methyl)amino]sulfamoyl]urea
CID 87484183
1-N'-(benzenecarbonothioyl)-3-N'-ethyl-1-N'-methyl-3-N'-(pyridine-4-carbothioyl)propanedihydrazide
CID 58534595
2-N',6-N'-bis(benzenecarbonothioyl)-2-N',6-N'-dimethyl-4-oxopyran-2,6-dicarbohydrazide
CID 58459688
2-N',6-N'-bis(benzenecarbonothioyl)-2-N',6-N'-dimethyl-4-oxooxane-2,6-dicarbohydrazide
CID 24937925
1-N'-(benzenecarbonothioyl)-3-N'-(cyclopropanecarbothioyl)-1-N',3-N',2-trimethylpropanedihydrazide
CID 10156532
3-N'-(benzenecarbonothioyl)-3-N'-methyl-1-N'-(2-methylbenzenecarbothioyl)propanedihydrazide
CID 87273939
(2E)-1-N'-(benzenecarbonothioyl)-1-N',3-N'-dimethyl-2-[[(4-methylpiperazin-1-yl)amino]methylidene]propanedihydrazide
CID 143851586
3-N'-(benzenecarbonothioyl)-1-N'-(cyclohexa-1,3-diene-1-carbothioyl)-1-N',3-N'-dimethylpropanedihydrazide
CID 89295743
methyl N-[[2-[2-(benzenecarbonothioyl)-2-methylhydrazinyl]-2-oxoethyl]sulfonylamino]-N-methylcarbamodithioate
CID 87108726

Frequently Asked Questions

What is the IUPAC name of 1-N',3-N'-bis(benzenecarbonothioyl)-1-N',3-N'-dimethyl-2-methylidenepropanedihydrazide?
The IUPAC name of 1-N',3-N'-bis(benzenecarbonothioyl)-1-N',3-N'-dimethyl-2-methylidenepropanedihydrazide (CID 58532633) is 1-N',3-N'-bis(benzenecarbonothioyl)-1-N',3-N'-dimethyl-2-methylidenepropanedihydrazide.
What is the SMILES notation for 1-N',3-N'-bis(benzenecarbonothioyl)-1-N',3-N'-dimethyl-2-methylidenepropanedihydrazide?
The canonical SMILES for 1-N',3-N'-bis(benzenecarbonothioyl)-1-N',3-N'-dimethyl-2-methylidenepropanedihydrazide is C=C(C(=O)NN(C)C(=S)c1ccccc1)C(=O)NN(C)C(=S)c1ccccc1.
What is the InChIKey of 1-N',3-N'-bis(benzenecarbonothioyl)-1-N',3-N'-dimethyl-2-methylidenepropanedihydrazide?
The InChIKey is HBZKXPPHQWFZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S2/c1-14(17(25)21-23(2)19(27)15-10-6-4-7-11-15)18(26)22-24(3)20(28)16-12-8-5-9-13-16/h4-13H,1H2,2-3H3,(H,21,25)(H,22,26).
What are the key properties of 1-N',3-N'-bis(benzenecarbonothioyl)-1-N',3-N'-dimethyl-2-methylidenepropanedihydrazide?
1-N',3-N'-bis(benzenecarbonothioyl)-1-N',3-N'-dimethyl-2-methylidenepropanedihydrazide has a molecular weight of 412.54 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N',3-N'-bis(benzenecarbonothioyl)-1-N',3-N'-dimethyl-2-methylidenepropanedihydrazide is sourced from PubChem (CID 58532633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).