2-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]propanehydrazide

C13H15N3O3S — CID 105352128

IUPAC2-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]propanehydrazide
SMILESCC(C(=O)NN)c1ccc(CN2C(=O)CSC2=O)cc1
InChIInChI=1S/C13H15N3O3S/c1-8(12(18)15-14)10-4-2-9(3-5-10)6-16-11(17)7-20-13(16)19/h2-5,8H,6-7,14H2,1H3,(H,15,18)
InChIKeyBLKNGUAJHKGQNO-UHFFFAOYSA-N
MW293.35 g/mol
LogP0.98
Rot. Bonds4

About 2-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]propanehydrazide

2-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]propanehydrazide (PubChem CID 105352128) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is 2-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]propanehydrazide.

Molecular Properties

Compound Name2-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]propanehydrazide
PubChem CID105352128
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name2-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]propanehydrazide
SMILESCC(C(=O)NN)c1ccc(CN2C(=O)CSC2=O)cc1
InChIInChI=1S/C13H15N3O3S/c1-8(12(18)15-14)10-4-2-9(3-5-10)6-16-11(17)7-20-13(16)19/h2-5,8H,6-7,14H2,1H3,(H,15,18)
InChIKeyBLKNGUAJHKGQNO-UHFFFAOYSA-N
XLogP0.98
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]propanehydrazide 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

2-[4-[(2,6-dioxopiperidin-1-yl)methyl]phenyl]propanehydrazide
CID 105352178
2-[4-[(2-oxo-1,3-thiazol-3-yl)methyl]phenyl]propanehydrazide
CID 105352208
2-amino-N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]pentanamide;hydrochloride
CID 119311151
2-[4-[(3-ethyl-2-oxoimidazol-1-yl)methyl]phenyl]propanehydrazide
CID 105352291
1-[1-(3,4-dichlorophenyl)ethyl]-3-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]urea
CID 56566577
2-[4-(2-methylpropyl)phenyl]propanehydrazide
CID 2736674
(2S)-2-amino-N-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119311145
1-[1-(3,4-difluorophenyl)ethyl]-3-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]-1-methylurea
CID 56566421
2-[4-(1,4-diazepan-1-ylmethyl)phenyl]propanehydrazide
CID 105351905
2-[4-[(3,4-dimethylpiperidin-1-yl)methyl]phenyl]propanehydrazide
CID 105352099
2-[4-(methoxymethyl)phenyl]propanehydrazide
CID 105351367
3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 55542327

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]propanehydrazide?
The IUPAC name of 2-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]propanehydrazide (CID 105352128) is 2-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]propanehydrazide.
What is the SMILES notation for 2-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]propanehydrazide?
The canonical SMILES for 2-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]propanehydrazide is CC(C(=O)NN)c1ccc(CN2C(=O)CSC2=O)cc1.
What is the InChIKey of 2-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]propanehydrazide?
The InChIKey is BLKNGUAJHKGQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-8(12(18)15-14)10-4-2-9(3-5-10)6-16-11(17)7-20-13(16)19/h2-5,8H,6-7,14H2,1H3,(H,15,18).
What are the key properties of 2-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]propanehydrazide?
2-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]propanehydrazide has a molecular weight of 293.35 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]phenyl]propanehydrazide is sourced from PubChem (CID 105352128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).