3-[3-(4-methylpiperazin-1-yl)propyl]-2-sulfanylidene-1,3-thiazolidin-4-one

C11H19N3OS2 — CID 154303812

IUPAC3-[3-(4-methylpiperazin-1-yl)propyl]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCN1CCN(CCCN2C(=O)CSC2=S)CC1
InChIInChI=1S/C11H19N3OS2/c1-12-5-7-13(8-6-12)3-2-4-14-10(15)9-17-11(14)16/h2-9H2,1H3
InChIKeyQISJNQFHANTAFI-UHFFFAOYSA-N
MW273.43 g/mol
LogP0.48
Rot. Bonds4

About 3-[3-(4-methylpiperazin-1-yl)propyl]-2-sulfanylidene-1,3-thiazolidin-4-one

3-[3-(4-methylpiperazin-1-yl)propyl]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 154303812) has the molecular formula C11H19N3OS2 and a molecular weight of 273.43 g/mol. Its IUPAC name is 3-[3-(4-methylpiperazin-1-yl)propyl]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[3-(4-methylpiperazin-1-yl)propyl]-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID154303812
Molecular FormulaC11H19N3OS2
Molecular Weight273.43 g/mol
Exact Mass273.10
IUPAC Name3-[3-(4-methylpiperazin-1-yl)propyl]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCN1CCN(CCCN2C(=O)CSC2=S)CC1
InChIInChI=1S/C11H19N3OS2/c1-12-5-7-13(8-6-12)3-2-4-14-10(15)9-17-11(14)16/h2-9H2,1H3
InChIKeyQISJNQFHANTAFI-UHFFFAOYSA-N
XLogP0.48
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.43
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'rhod_sat_A(33)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 3-[3-(4-methylpiperazin-1-yl)propyl]-2-sulfanylidene-1,3-thiazolidin-4-one 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

3-[3-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propyl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 14365442
3-octyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 13321106
CID 59696855
CID 59696855
3-[3-(diethylamino)propyl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 53375713
methane;1-methyl-3-[3-(4-methylpiperazin-1-yl)propyl]imidazolidine-2,4-dione
CID 160883463
2-sulfanylidene-3-[5-(2H-tetrazol-5-yl)pentyl]-1,3-thiazolidin-4-one
CID 58643266
N-(4-methylphenyl)-5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanamide
CID 9411691
3-[2-(4-hydroxyphenyl)ethyl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 18593001
1-methyl-4-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperazine
CID 170586361
6-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-[(1S)-1-phenylethyl]hexanamide
CID 9315278
2-methyl-N'-[5-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)pentanoyl]benzohydrazide
CID 9220858
1,4,7-trimethyl-10-[2-(4,7,10-trimethyl-1,4,7,10-tetrazacyclododec-1-yl)ethyl]-1,4,7,10-tetrazacyclododecane
CID 21130153

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methylpiperazin-1-yl)propyl]-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of 3-[3-(4-methylpiperazin-1-yl)propyl]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 154303812) is 3-[3-(4-methylpiperazin-1-yl)propyl]-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[3-(4-methylpiperazin-1-yl)propyl]-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[3-(4-methylpiperazin-1-yl)propyl]-2-sulfanylidene-1,3-thiazolidin-4-one is CN1CCN(CCCN2C(=O)CSC2=S)CC1.
What is the InChIKey of 3-[3-(4-methylpiperazin-1-yl)propyl]-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is QISJNQFHANTAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS2/c1-12-5-7-13(8-6-12)3-2-4-14-10(15)9-17-11(14)16/h2-9H2,1H3.
What are the key properties of 3-[3-(4-methylpiperazin-1-yl)propyl]-2-sulfanylidene-1,3-thiazolidin-4-one?
3-[3-(4-methylpiperazin-1-yl)propyl]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 273.43 g/mol, XLogP of 0.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-methylpiperazin-1-yl)propyl]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 154303812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).