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

C17H19N5O4S — CID 9327071

IUPAC4-oxo-N'-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-3-propylphthalazine-1-carbohydrazide
SMILESCCCn1nc(C(=O)NNC(=O)CN2CSCC2=O)c2ccccc2c1=O
InChIInChI=1S/C17H19N5O4S/c1-2-7-22-17(26)12-6-4-3-5-11(12)15(20-22)16(25)19-18-13(23)8-21-10-27-9-14(21)24/h3-6H,2,7-10H2,1H3,(H,18,23)(H,19,25)
InChIKeyFKUIZBHCIMVPFS-UHFFFAOYSA-N
MW389.44 g/mol
LogP0.10
Rot. Bonds5

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

4-oxo-N'-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-3-propylphthalazine-1-carbohydrazide (PubChem CID 9327071) has the molecular formula C17H19N5O4S and a molecular weight of 389.44 g/mol. Its IUPAC name is 4-oxo-N'-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-3-propylphthalazine-1-carbohydrazide.

Molecular Properties

Compound Name4-oxo-N'-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-3-propylphthalazine-1-carbohydrazide
PubChem CID9327071
Molecular FormulaC17H19N5O4S
Molecular Weight389.44 g/mol
Exact Mass389.12
IUPAC Name4-oxo-N'-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-3-propylphthalazine-1-carbohydrazide
SMILESCCCn1nc(C(=O)NNC(=O)CN2CSCC2=O)c2ccccc2c1=O
InChIInChI=1S/C17H19N5O4S/c1-2-7-22-17(26)12-6-4-3-5-11(12)15(20-22)16(25)19-18-13(23)8-21-10-27-9-14(21)24/h3-6H,2,7-10H2,1H3,(H,18,23)(H,19,25)
InChIKeyFKUIZBHCIMVPFS-UHFFFAOYSA-N
XLogP0.10
TPSA113.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.44
LogP ≤ 50.10
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

4-oxo-N'-[2-(2-oxopyrrolidin-1-yl)acetyl]-3-propylphthalazine-1-carbohydrazide
CID 9327076
N'-[3-(4-ethylphenyl)propanoyl]-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 9428189
N'-butanoyl-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 24540583
4-ethyl-N'-(4-oxo-3-propylphthalazine-1-carbonyl)thiadiazole-5-carbohydrazide
CID 46638081
1-benzyl-3-[2-oxo-2-[2-(4-oxo-3-propylphthalazine-1-carbonyl)hydrazinyl]ethyl]urea
CID 27552401
4-oxo-N'-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]-3-propylphthalazine-1-carbohydrazide
CID 27551732
2,4-dimethyl-N'-(4-oxo-3-propylphthalazine-1-carbonyl)-1,3-thiazole-5-carbohydrazide
CID 55341289
N'-[2-(4-fluorophenyl)sulfanylacetyl]-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 27551825
N'-(cyclohex-3-ene-1-carbonyl)-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 42888146
N-(2-hydroxyethyl)-4-oxo-3-propylphthalazine-1-carboxamide
CID 2110499
N'-(2-benzylbenzoyl)-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 55341225
N'-(1-benzofuran-2-carbonyl)-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 8839224

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N'-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-3-propylphthalazine-1-carbohydrazide?
The IUPAC name of 4-oxo-N'-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-3-propylphthalazine-1-carbohydrazide (CID 9327071) is 4-oxo-N'-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-3-propylphthalazine-1-carbohydrazide.
What is the SMILES notation for 4-oxo-N'-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-3-propylphthalazine-1-carbohydrazide?
The canonical SMILES for 4-oxo-N'-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-3-propylphthalazine-1-carbohydrazide is CCCn1nc(C(=O)NNC(=O)CN2CSCC2=O)c2ccccc2c1=O.
What is the InChIKey of 4-oxo-N'-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-3-propylphthalazine-1-carbohydrazide?
The InChIKey is FKUIZBHCIMVPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O4S/c1-2-7-22-17(26)12-6-4-3-5-11(12)15(20-22)16(25)19-18-13(23)8-21-10-27-9-14(21)24/h3-6H,2,7-10H2,1H3,(H,18,23)(H,19,25).
What are the key properties of 4-oxo-N'-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-3-propylphthalazine-1-carbohydrazide?
4-oxo-N'-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-3-propylphthalazine-1-carbohydrazide has a molecular weight of 389.44 g/mol, XLogP of 0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N'-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-3-propylphthalazine-1-carbohydrazide is sourced from PubChem (CID 9327071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).