4-ethyl-N'-(4-oxo-3-propylphthalazine-1-carbonyl)thiadiazole-5-carbohydrazide

C17H18N6O3S — CID 46638081

IUPAC4-ethyl-N'-(4-oxo-3-propylphthalazine-1-carbonyl)thiadiazole-5-carbohydrazide
SMILESCCCn1nc(C(=O)NNC(=O)c2snnc2CC)c2ccccc2c1=O
InChIInChI=1S/C17H18N6O3S/c1-3-9-23-17(26)11-8-6-5-7-10(11)13(21-23)15(24)19-20-16(25)14-12(4-2)18-22-27-14/h5-8H,3-4,9H2,1-2H3,(H,19,24)(H,20,25)
InChIKeyVBKJYZYGOBEUTB-UHFFFAOYSA-N
MW386.44 g/mol
LogP1.30
Rot. Bonds5

About 4-ethyl-N'-(4-oxo-3-propylphthalazine-1-carbonyl)thiadiazole-5-carbohydrazide

4-ethyl-N'-(4-oxo-3-propylphthalazine-1-carbonyl)thiadiazole-5-carbohydrazide (PubChem CID 46638081) has the molecular formula C17H18N6O3S and a molecular weight of 386.44 g/mol. Its IUPAC name is 4-ethyl-N'-(4-oxo-3-propylphthalazine-1-carbonyl)thiadiazole-5-carbohydrazide.

Molecular Properties

Compound Name4-ethyl-N'-(4-oxo-3-propylphthalazine-1-carbonyl)thiadiazole-5-carbohydrazide
PubChem CID46638081
Molecular FormulaC17H18N6O3S
Molecular Weight386.44 g/mol
Exact Mass386.12
IUPAC Name4-ethyl-N'-(4-oxo-3-propylphthalazine-1-carbonyl)thiadiazole-5-carbohydrazide
SMILESCCCn1nc(C(=O)NNC(=O)c2snnc2CC)c2ccccc2c1=O
InChIInChI=1S/C17H18N6O3S/c1-3-9-23-17(26)11-8-6-5-7-10(11)13(21-23)15(24)19-20-16(25)14-12(4-2)18-22-27-14/h5-8H,3-4,9H2,1-2H3,(H,19,24)(H,20,25)
InChIKeyVBKJYZYGOBEUTB-UHFFFAOYSA-N
XLogP1.30
TPSA118.87 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,4-dimethyl-N'-(4-oxo-3-propylphthalazine-1-carbonyl)-1,3-thiazole-5-carbohydrazide
CID 55341289
N'-[3-(4-ethylphenyl)propanoyl]-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 9428189
4-methyl-N'-(4-oxo-3-propylphthalazine-1-carbonyl)-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 25439380
4-oxo-N'-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-3-propylphthalazine-1-carbohydrazide
CID 9327071
N-(2-hydroxyethyl)-4-oxo-3-propylphthalazine-1-carboxamide
CID 2110499
N'-butanoyl-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 24540583
N'-(2-benzylbenzoyl)-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 55341225
3-butyl-N'-(4-ethylbenzoyl)-4-oxophthalazine-1-carbohydrazide
CID 7995124
4-ethyl-N-(4-oxoquinazolin-3-yl)thiadiazole-5-carboxamide
CID 75413353
N'-(1-benzofuran-2-carbonyl)-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 8839224
1-benzyl-3-[2-oxo-2-[2-(4-oxo-3-propylphthalazine-1-carbonyl)hydrazinyl]ethyl]urea
CID 27552401
4-oxo-3-pentyl-N'-(thiophene-3-carbonyl)phthalazine-1-carbohydrazide
CID 27679074

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N'-(4-oxo-3-propylphthalazine-1-carbonyl)thiadiazole-5-carbohydrazide?
The IUPAC name of 4-ethyl-N'-(4-oxo-3-propylphthalazine-1-carbonyl)thiadiazole-5-carbohydrazide (CID 46638081) is 4-ethyl-N'-(4-oxo-3-propylphthalazine-1-carbonyl)thiadiazole-5-carbohydrazide.
What is the SMILES notation for 4-ethyl-N'-(4-oxo-3-propylphthalazine-1-carbonyl)thiadiazole-5-carbohydrazide?
The canonical SMILES for 4-ethyl-N'-(4-oxo-3-propylphthalazine-1-carbonyl)thiadiazole-5-carbohydrazide is CCCn1nc(C(=O)NNC(=O)c2snnc2CC)c2ccccc2c1=O.
What is the InChIKey of 4-ethyl-N'-(4-oxo-3-propylphthalazine-1-carbonyl)thiadiazole-5-carbohydrazide?
The InChIKey is VBKJYZYGOBEUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O3S/c1-3-9-23-17(26)11-8-6-5-7-10(11)13(21-23)15(24)19-20-16(25)14-12(4-2)18-22-27-14/h5-8H,3-4,9H2,1-2H3,(H,19,24)(H,20,25).
What are the key properties of 4-ethyl-N'-(4-oxo-3-propylphthalazine-1-carbonyl)thiadiazole-5-carbohydrazide?
4-ethyl-N'-(4-oxo-3-propylphthalazine-1-carbonyl)thiadiazole-5-carbohydrazide has a molecular weight of 386.44 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N'-(4-oxo-3-propylphthalazine-1-carbonyl)thiadiazole-5-carbohydrazide is sourced from PubChem (CID 46638081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).