4-methyl-N'-(4-oxo-3-propylphthalazine-1-carbonyl)-2-phenyl-1,3-thiazole-5-carbohydrazide

C23H21N5O3S — CID 25439380

IUPAC4-methyl-N'-(4-oxo-3-propylphthalazine-1-carbonyl)-2-phenyl-1,3-thiazole-5-carbohydrazide
SMILESCCCn1nc(C(=O)NNC(=O)c2sc(-c3ccccc3)nc2C)c2ccccc2c1=O
InChIInChI=1S/C23H21N5O3S/c1-3-13-28-23(31)17-12-8-7-11-16(17)18(27-28)20(29)25-26-21(30)19-14(2)24-22(32-19)15-9-5-4-6-10-15/h4-12H,3,13H2,1-2H3,(H,25,29)(H,26,30)
InChIKeyKYPMGDKWKDYQPW-UHFFFAOYSA-N
MW447.52 g/mol
LogP3.31
Rot. Bonds5

About 4-methyl-N'-(4-oxo-3-propylphthalazine-1-carbonyl)-2-phenyl-1,3-thiazole-5-carbohydrazide

4-methyl-N'-(4-oxo-3-propylphthalazine-1-carbonyl)-2-phenyl-1,3-thiazole-5-carbohydrazide (PubChem CID 25439380) has the molecular formula C23H21N5O3S and a molecular weight of 447.52 g/mol. Its IUPAC name is 4-methyl-N'-(4-oxo-3-propylphthalazine-1-carbonyl)-2-phenyl-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound Name4-methyl-N'-(4-oxo-3-propylphthalazine-1-carbonyl)-2-phenyl-1,3-thiazole-5-carbohydrazide
PubChem CID25439380
Molecular FormulaC23H21N5O3S
Molecular Weight447.52 g/mol
Exact Mass447.14
IUPAC Name4-methyl-N'-(4-oxo-3-propylphthalazine-1-carbonyl)-2-phenyl-1,3-thiazole-5-carbohydrazide
SMILESCCCn1nc(C(=O)NNC(=O)c2sc(-c3ccccc3)nc2C)c2ccccc2c1=O
InChIInChI=1S/C23H21N5O3S/c1-3-13-28-23(31)17-12-8-7-11-16(17)18(27-28)20(29)25-26-21(30)19-14(2)24-22(32-19)15-9-5-4-6-10-15/h4-12H,3,13H2,1-2H3,(H,25,29)(H,26,30)
InChIKeyKYPMGDKWKDYQPW-UHFFFAOYSA-N
XLogP3.31
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.52
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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
2-(3-chlorophenyl)-N'-(3-ethyl-4-oxophthalazine-1-carbonyl)-4-methyl-1,3-thiazole-5-carbohydrazide
CID 26771539
N'-(3-ethyl-4-oxophthalazine-1-carbonyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbohydrazide
CID 27564090
4-oxo-N'-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]-3-propylphthalazine-1-carbohydrazide
CID 27551732
4-ethyl-N'-(4-oxo-3-propylphthalazine-1-carbonyl)thiadiazole-5-carbohydrazide
CID 46638081
N'-(2-benzylbenzoyl)-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 55341225
2-ethyl-4,5-dimethyl-N'-(4-oxo-3-pentylphthalazine-1-carbonyl)thieno[2,3-d]pyrimidine-6-carbohydrazide
CID 30469291
1-benzyl-3-[2-oxo-2-[2-(4-oxo-3-propylphthalazine-1-carbonyl)hydrazinyl]ethyl]urea
CID 27552401
N'-(1-benzofuran-2-carbonyl)-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 8839224
4-methyl-N'-[3-(4-oxoquinazolin-3-yl)propanoyl]-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 34391804
4-oxo-3-pentyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)phthalazine-1-carboxamide
CID 60592484
ethyl 2-methyl-6-[[(4-oxo-3-propylphthalazine-1-carbonyl)amino]carbamoyl]pyridine-3-carboxylate
CID 55630447

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N'-(4-oxo-3-propylphthalazine-1-carbonyl)-2-phenyl-1,3-thiazole-5-carbohydrazide?
The IUPAC name of 4-methyl-N'-(4-oxo-3-propylphthalazine-1-carbonyl)-2-phenyl-1,3-thiazole-5-carbohydrazide (CID 25439380) is 4-methyl-N'-(4-oxo-3-propylphthalazine-1-carbonyl)-2-phenyl-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for 4-methyl-N'-(4-oxo-3-propylphthalazine-1-carbonyl)-2-phenyl-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for 4-methyl-N'-(4-oxo-3-propylphthalazine-1-carbonyl)-2-phenyl-1,3-thiazole-5-carbohydrazide is CCCn1nc(C(=O)NNC(=O)c2sc(-c3ccccc3)nc2C)c2ccccc2c1=O.
What is the InChIKey of 4-methyl-N'-(4-oxo-3-propylphthalazine-1-carbonyl)-2-phenyl-1,3-thiazole-5-carbohydrazide?
The InChIKey is KYPMGDKWKDYQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3S/c1-3-13-28-23(31)17-12-8-7-11-16(17)18(27-28)20(29)25-26-21(30)19-14(2)24-22(32-19)15-9-5-4-6-10-15/h4-12H,3,13H2,1-2H3,(H,25,29)(H,26,30).
What are the key properties of 4-methyl-N'-(4-oxo-3-propylphthalazine-1-carbonyl)-2-phenyl-1,3-thiazole-5-carbohydrazide?
4-methyl-N'-(4-oxo-3-propylphthalazine-1-carbonyl)-2-phenyl-1,3-thiazole-5-carbohydrazide has a molecular weight of 447.52 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N'-(4-oxo-3-propylphthalazine-1-carbonyl)-2-phenyl-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 25439380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).