3-acetyl-N'-(benzenesulfonyl)-1,3-thiazolidine-4-carbohydrazide

C12H15N3O4S2 — CID 2821404

IUPAC3-acetyl-N'-(benzenesulfonyl)-1,3-thiazolidine-4-carbohydrazide
SMILESCC(=O)N1CSCC1C(=O)NNS(=O)(=O)c1ccccc1
InChIInChI=1S/C12H15N3O4S2/c1-9(16)15-8-20-7-11(15)12(17)13-14-21(18,19)10-5-3-2-4-6-10/h2-6,11,14H,7-8H2,1H3,(H,13,17)
InChIKeyICLGIJYNTSIFOS-UHFFFAOYSA-N
MW329.40 g/mol
LogP-0.08
Rot. Bonds4

About 3-acetyl-N'-(benzenesulfonyl)-1,3-thiazolidine-4-carbohydrazide

3-acetyl-N'-(benzenesulfonyl)-1,3-thiazolidine-4-carbohydrazide (PubChem CID 2821404) has the molecular formula C12H15N3O4S2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-acetyl-N'-(benzenesulfonyl)-1,3-thiazolidine-4-carbohydrazide.

Molecular Properties

Compound Name3-acetyl-N'-(benzenesulfonyl)-1,3-thiazolidine-4-carbohydrazide
PubChem CID2821404
Molecular FormulaC12H15N3O4S2
Molecular Weight329.40 g/mol
Exact Mass329.05
IUPAC Name3-acetyl-N'-(benzenesulfonyl)-1,3-thiazolidine-4-carbohydrazide
SMILESCC(=O)N1CSCC1C(=O)NNS(=O)(=O)c1ccccc1
InChIInChI=1S/C12H15N3O4S2/c1-9(16)15-8-20-7-11(15)12(17)13-14-21(18,19)10-5-3-2-4-6-10/h2-6,11,14H,7-8H2,1H3,(H,13,17)
InChIKeyICLGIJYNTSIFOS-UHFFFAOYSA-N
XLogP-0.08
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-acetyl-N'-(benzenesulfonyl)-1,3-thiazolidine-4-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N'-(benzenesulfonyl)-1,3-thiazolidine-4-carbohydrazide?
The IUPAC name of 3-acetyl-N'-(benzenesulfonyl)-1,3-thiazolidine-4-carbohydrazide (CID 2821404) is 3-acetyl-N'-(benzenesulfonyl)-1,3-thiazolidine-4-carbohydrazide.
What is the SMILES notation for 3-acetyl-N'-(benzenesulfonyl)-1,3-thiazolidine-4-carbohydrazide?
The canonical SMILES for 3-acetyl-N'-(benzenesulfonyl)-1,3-thiazolidine-4-carbohydrazide is CC(=O)N1CSCC1C(=O)NNS(=O)(=O)c1ccccc1.
What is the InChIKey of 3-acetyl-N'-(benzenesulfonyl)-1,3-thiazolidine-4-carbohydrazide?
The InChIKey is ICLGIJYNTSIFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4S2/c1-9(16)15-8-20-7-11(15)12(17)13-14-21(18,19)10-5-3-2-4-6-10/h2-6,11,14H,7-8H2,1H3,(H,13,17).
What are the key properties of 3-acetyl-N'-(benzenesulfonyl)-1,3-thiazolidine-4-carbohydrazide?
3-acetyl-N'-(benzenesulfonyl)-1,3-thiazolidine-4-carbohydrazide has a molecular weight of 329.40 g/mol, XLogP of -0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N'-(benzenesulfonyl)-1,3-thiazolidine-4-carbohydrazide is sourced from PubChem (CID 2821404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).