1-N'-(benzenecarbonothioyl)-3-N'-(cyclopropanecarbothioyl)-1-N',3-N',2-trimethylpropanedihydrazide

C17H22N4O2S2 — CID 10156532

IUPAC1-N'-(benzenecarbonothioyl)-3-N'-(cyclopropanecarbothioyl)-1-N',3-N',2-trimethylpropanedihydrazide
SMILESCC(C(=O)NN(C)C(=S)c1ccccc1)C(=O)NN(C)C(=S)C1CC1
InChIInChI=1S/C17H22N4O2S2/c1-11(15(23)19-21(3)17(25)13-9-10-13)14(22)18-20(2)16(24)12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3,(H,18,22)(H,19,23)
InChIKeyVNKHMXXMWMXCSK-UHFFFAOYSA-N
MW378.52 g/mol
LogP1.66
Rot. Bonds4

About 1-N'-(benzenecarbonothioyl)-3-N'-(cyclopropanecarbothioyl)-1-N',3-N',2-trimethylpropanedihydrazide

1-N'-(benzenecarbonothioyl)-3-N'-(cyclopropanecarbothioyl)-1-N',3-N',2-trimethylpropanedihydrazide (PubChem CID 10156532) has the molecular formula C17H22N4O2S2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 1-N'-(benzenecarbonothioyl)-3-N'-(cyclopropanecarbothioyl)-1-N',3-N',2-trimethylpropanedihydrazide.

Molecular Properties

Compound Name1-N'-(benzenecarbonothioyl)-3-N'-(cyclopropanecarbothioyl)-1-N',3-N',2-trimethylpropanedihydrazide
PubChem CID10156532
Molecular FormulaC17H22N4O2S2
Molecular Weight378.52 g/mol
Exact Mass378.12
IUPAC Name1-N'-(benzenecarbonothioyl)-3-N'-(cyclopropanecarbothioyl)-1-N',3-N',2-trimethylpropanedihydrazide
SMILESCC(C(=O)NN(C)C(=S)c1ccccc1)C(=O)NN(C)C(=S)C1CC1
InChIInChI=1S/C17H22N4O2S2/c1-11(15(23)19-21(3)17(25)13-9-10-13)14(22)18-20(2)16(24)12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3,(H,18,22)(H,19,23)
InChIKeyVNKHMXXMWMXCSK-UHFFFAOYSA-N
XLogP1.66
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

Analyze 1-N'-(benzenecarbonothioyl)-3-N'-(cyclopropanecarbothioyl)-1-N',3-N',2-trimethylpropanedihydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N',3-N'-bis(benzenecarbonothioyl)-1-N',3-N'-diethyl-2-methylpropanedihydrazide;ethane
CID 143634366
2-N',6-N'-bis(benzenecarbonothioyl)-2-N',6-N'-dimethyl-4-oxooxane-2,6-dicarbohydrazide
CID 24937925
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
3-N'-(benzenecarbonothioyl)-1-N',3-N'-dimethyl-1-N'-(1-phenylethenyl)propanedihydrazide
CID 143634327
1-[benzenecarbonothioyl(methyl)amino]-3-[[benzenecarbonothioyl(methyl)amino]sulfamoyl]urea
CID 87484183
2-N',6-N'-bis(benzenecarbonothioyl)-2-N',6-N'-dimethyl-4-oxopyran-2,6-dicarbohydrazide
CID 58459688
3-N'-(benzenecarbonothioyl)-1-N'-(cyclohexa-1,3-diene-1-carbothioyl)-1-N',3-N'-dimethylpropanedihydrazide
CID 89295743
N-(benzenecarbonothioyl)-N-(1-phenylethyl)benzamide
CID 13262498
1-N'-(benzenecarbonothioyl)-3-N'-ethyl-1-N'-methyl-3-N'-(pyridine-4-carbothioyl)propanedihydrazide
CID 58534595
3-N'-(benzenecarbonothioyl)-3-N'-methyl-1-N'-(2-methylbenzenecarbothioyl)propanedihydrazide
CID 87273939
(4-benzoylcyclohexyl)-phenylmethanone
CID 24722598

Frequently Asked Questions

What is the IUPAC name of 1-N'-(benzenecarbonothioyl)-3-N'-(cyclopropanecarbothioyl)-1-N',3-N',2-trimethylpropanedihydrazide?
The IUPAC name of 1-N'-(benzenecarbonothioyl)-3-N'-(cyclopropanecarbothioyl)-1-N',3-N',2-trimethylpropanedihydrazide (CID 10156532) is 1-N'-(benzenecarbonothioyl)-3-N'-(cyclopropanecarbothioyl)-1-N',3-N',2-trimethylpropanedihydrazide.
What is the SMILES notation for 1-N'-(benzenecarbonothioyl)-3-N'-(cyclopropanecarbothioyl)-1-N',3-N',2-trimethylpropanedihydrazide?
The canonical SMILES for 1-N'-(benzenecarbonothioyl)-3-N'-(cyclopropanecarbothioyl)-1-N',3-N',2-trimethylpropanedihydrazide is CC(C(=O)NN(C)C(=S)c1ccccc1)C(=O)NN(C)C(=S)C1CC1.
What is the InChIKey of 1-N'-(benzenecarbonothioyl)-3-N'-(cyclopropanecarbothioyl)-1-N',3-N',2-trimethylpropanedihydrazide?
The InChIKey is VNKHMXXMWMXCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S2/c1-11(15(23)19-21(3)17(25)13-9-10-13)14(22)18-20(2)16(24)12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3,(H,18,22)(H,19,23).
What are the key properties of 1-N'-(benzenecarbonothioyl)-3-N'-(cyclopropanecarbothioyl)-1-N',3-N',2-trimethylpropanedihydrazide?
1-N'-(benzenecarbonothioyl)-3-N'-(cyclopropanecarbothioyl)-1-N',3-N',2-trimethylpropanedihydrazide has a molecular weight of 378.52 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(benzenecarbonothioyl)-3-N'-(cyclopropanecarbothioyl)-1-N',3-N',2-trimethylpropanedihydrazide is sourced from PubChem (CID 10156532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).