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

C18H19N5O3S — CID 55341289

IUPAC2,4-dimethyl-N'-(4-oxo-3-propylphthalazine-1-carbonyl)-1,3-thiazole-5-carbohydrazide
SMILESCCCn1nc(C(=O)NNC(=O)c2sc(C)nc2C)c2ccccc2c1=O
InChIInChI=1S/C18H19N5O3S/c1-4-9-23-18(26)13-8-6-5-7-12(13)14(22-23)16(24)20-21-17(25)15-10(2)19-11(3)27-15/h5-8H,4,9H2,1-3H3,(H,20,24)(H,21,25)
InChIKeyKHQDUAHVAPCDOS-UHFFFAOYSA-N
MW385.45 g/mol
LogP1.95
Rot. Bonds4

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

2,4-dimethyl-N'-(4-oxo-3-propylphthalazine-1-carbonyl)-1,3-thiazole-5-carbohydrazide (PubChem CID 55341289) has the molecular formula C18H19N5O3S and a molecular weight of 385.45 g/mol. Its IUPAC name is 2,4-dimethyl-N'-(4-oxo-3-propylphthalazine-1-carbonyl)-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound Name2,4-dimethyl-N'-(4-oxo-3-propylphthalazine-1-carbonyl)-1,3-thiazole-5-carbohydrazide
PubChem CID55341289
Molecular FormulaC18H19N5O3S
Molecular Weight385.45 g/mol
Exact Mass385.12
IUPAC Name2,4-dimethyl-N'-(4-oxo-3-propylphthalazine-1-carbonyl)-1,3-thiazole-5-carbohydrazide
SMILESCCCn1nc(C(=O)NNC(=O)c2sc(C)nc2C)c2ccccc2c1=O
InChIInChI=1S/C18H19N5O3S/c1-4-9-23-18(26)13-8-6-5-7-12(13)14(22-23)16(24)20-21-17(25)15-10(2)19-11(3)27-15/h5-8H,4,9H2,1-3H3,(H,20,24)(H,21,25)
InChIKeyKHQDUAHVAPCDOS-UHFFFAOYSA-N
XLogP1.95
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2,4-dimethyl-N'-(4-oxo-3-propylphthalazine-1-carbonyl)-1,3-thiazole-5-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

4-methyl-N'-(4-oxo-3-propylphthalazine-1-carbonyl)-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 25439380
4-ethyl-N'-(4-oxo-3-propylphthalazine-1-carbonyl)thiadiazole-5-carbohydrazide
CID 46638081
N'-(3-ethyl-4-oxophthalazine-1-carbonyl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbohydrazide
CID 27564090
2-ethyl-4,5-dimethyl-N'-(4-oxo-3-pentylphthalazine-1-carbonyl)thieno[2,3-d]pyrimidine-6-carbohydrazide
CID 30469291
ethyl 2-methyl-6-[[(4-oxo-3-propylphthalazine-1-carbonyl)amino]carbamoyl]pyridine-3-carboxylate
CID 55630447
2-(3-chlorophenyl)-N'-(3-ethyl-4-oxophthalazine-1-carbonyl)-4-methyl-1,3-thiazole-5-carbohydrazide
CID 26771539
N'-(1-benzofuran-2-carbonyl)-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 8839224
3-ethyl-N'-(5-methylthiophene-2-carbonyl)-4-oxophthalazine-1-carbohydrazide
CID 27563716
N-(2-hydroxyethyl)-4-oxo-3-propylphthalazine-1-carboxamide
CID 2110499
N'-butanoyl-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 24540583
N-naphthalen-1-yl-4-oxo-3-propylphthalazine-1-carboxamide
CID 3958187
N'-[3-(4-ethylphenyl)propanoyl]-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 9428189

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N'-(4-oxo-3-propylphthalazine-1-carbonyl)-1,3-thiazole-5-carbohydrazide?
The IUPAC name of 2,4-dimethyl-N'-(4-oxo-3-propylphthalazine-1-carbonyl)-1,3-thiazole-5-carbohydrazide (CID 55341289) is 2,4-dimethyl-N'-(4-oxo-3-propylphthalazine-1-carbonyl)-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for 2,4-dimethyl-N'-(4-oxo-3-propylphthalazine-1-carbonyl)-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for 2,4-dimethyl-N'-(4-oxo-3-propylphthalazine-1-carbonyl)-1,3-thiazole-5-carbohydrazide is CCCn1nc(C(=O)NNC(=O)c2sc(C)nc2C)c2ccccc2c1=O.
What is the InChIKey of 2,4-dimethyl-N'-(4-oxo-3-propylphthalazine-1-carbonyl)-1,3-thiazole-5-carbohydrazide?
The InChIKey is KHQDUAHVAPCDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3S/c1-4-9-23-18(26)13-8-6-5-7-12(13)14(22-23)16(24)20-21-17(25)15-10(2)19-11(3)27-15/h5-8H,4,9H2,1-3H3,(H,20,24)(H,21,25).
What are the key properties of 2,4-dimethyl-N'-(4-oxo-3-propylphthalazine-1-carbonyl)-1,3-thiazole-5-carbohydrazide?
2,4-dimethyl-N'-(4-oxo-3-propylphthalazine-1-carbonyl)-1,3-thiazole-5-carbohydrazide has a molecular weight of 385.45 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N'-(4-oxo-3-propylphthalazine-1-carbonyl)-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 55341289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).