4-oxo-N'-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]-3-propylphthalazine-1-carbohydrazide

C23H21N5O3S — CID 27551732

IUPAC4-oxo-N'-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]-3-propylphthalazine-1-carbohydrazide
SMILESCCCn1nc(C(=O)NNC(=O)Cc2csc(-c3ccccc3)n2)c2ccccc2c1=O
InChIInChI=1S/C23H21N5O3S/c1-2-12-28-23(31)18-11-7-6-10-17(18)20(27-28)21(30)26-25-19(29)13-16-14-32-22(24-16)15-8-4-3-5-9-15/h3-11,14H,2,12-13H2,1H3,(H,25,29)(H,26,30)
InChIKeyMGFAUYHFYFKHIL-UHFFFAOYSA-N
MW447.52 g/mol
LogP2.93
Rot. Bonds6

About 4-oxo-N'-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]-3-propylphthalazine-1-carbohydrazide

4-oxo-N'-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]-3-propylphthalazine-1-carbohydrazide (PubChem CID 27551732) has the molecular formula C23H21N5O3S and a molecular weight of 447.52 g/mol. Its IUPAC name is 4-oxo-N'-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]-3-propylphthalazine-1-carbohydrazide.

Molecular Properties

Compound Name4-oxo-N'-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]-3-propylphthalazine-1-carbohydrazide
PubChem CID27551732
Molecular FormulaC23H21N5O3S
Molecular Weight447.52 g/mol
Exact Mass447.14
IUPAC Name4-oxo-N'-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]-3-propylphthalazine-1-carbohydrazide
SMILESCCCn1nc(C(=O)NNC(=O)Cc2csc(-c3ccccc3)n2)c2ccccc2c1=O
InChIInChI=1S/C23H21N5O3S/c1-2-12-28-23(31)18-11-7-6-10-17(18)20(27-28)21(30)26-25-19(29)13-16-14-32-22(24-16)15-8-4-3-5-9-15/h3-11,14H,2,12-13H2,1H3,(H,25,29)(H,26,30)
InChIKeyMGFAUYHFYFKHIL-UHFFFAOYSA-N
XLogP2.93
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.52
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-oxo-N'-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]-3-propylphthalazine-1-carbohydrazide 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

N'-[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 27679087
4-oxo-3-pentyl-N'-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]phthalazine-1-carbohydrazide
CID 55438833
4-methyl-N'-(4-oxo-3-propylphthalazine-1-carbonyl)-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 25439380
1-benzyl-3-[2-oxo-2-[2-(4-oxo-3-propylphthalazine-1-carbonyl)hydrazinyl]ethyl]urea
CID 27552401
N'-[3-(4-ethylphenyl)propanoyl]-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 9428189
N'-(2-benzylbenzoyl)-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 55341225
N'-(1-benzofuran-2-carbonyl)-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 8839224
4-oxo-N'-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-3-propylphthalazine-1-carbohydrazide
CID 9327071
N'-butanoyl-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 24540583
4-oxo-N'-[2-(2-oxopyrrolidin-1-yl)acetyl]-3-propylphthalazine-1-carbohydrazide
CID 9327076
3-methyl-4-oxo-N'-(2-phenylacetyl)phthalazine-1-carbohydrazide
CID 7750621
5-cyclopropyl-N'-(4-oxo-3-propylphthalazine-1-carbonyl)-1,2-oxazole-3-carbohydrazide
CID 32658761

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N'-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]-3-propylphthalazine-1-carbohydrazide?
The IUPAC name of 4-oxo-N'-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]-3-propylphthalazine-1-carbohydrazide (CID 27551732) is 4-oxo-N'-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]-3-propylphthalazine-1-carbohydrazide.
What is the SMILES notation for 4-oxo-N'-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]-3-propylphthalazine-1-carbohydrazide?
The canonical SMILES for 4-oxo-N'-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]-3-propylphthalazine-1-carbohydrazide is CCCn1nc(C(=O)NNC(=O)Cc2csc(-c3ccccc3)n2)c2ccccc2c1=O.
What is the InChIKey of 4-oxo-N'-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]-3-propylphthalazine-1-carbohydrazide?
The InChIKey is MGFAUYHFYFKHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3S/c1-2-12-28-23(31)18-11-7-6-10-17(18)20(27-28)21(30)26-25-19(29)13-16-14-32-22(24-16)15-8-4-3-5-9-15/h3-11,14H,2,12-13H2,1H3,(H,25,29)(H,26,30).
What are the key properties of 4-oxo-N'-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]-3-propylphthalazine-1-carbohydrazide?
4-oxo-N'-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]-3-propylphthalazine-1-carbohydrazide has a molecular weight of 447.52 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N'-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]-3-propylphthalazine-1-carbohydrazide is sourced from PubChem (CID 27551732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).