N-cyclopentyl-3-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanamide

C12H18N2O2S2 — CID 17033751

IUPACN-cyclopentyl-3-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanamide
SMILESCC1SC(=S)N(CCC(=O)NC2CCCC2)C1=O
InChIInChI=1S/C12H18N2O2S2/c1-8-11(16)14(12(17)18-8)7-6-10(15)13-9-4-2-3-5-9/h8-9H,2-7H2,1H3,(H,13,15)
InChIKeyDHWMIPQLZNXUKT-UHFFFAOYSA-N
MW286.42 g/mol
LogP1.68
Rot. Bonds4

About N-cyclopentyl-3-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanamide

N-cyclopentyl-3-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanamide (PubChem CID 17033751) has the molecular formula C12H18N2O2S2 and a molecular weight of 286.42 g/mol. Its IUPAC name is N-cyclopentyl-3-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanamide.

Molecular Properties

Compound NameN-cyclopentyl-3-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanamide
PubChem CID17033751
Molecular FormulaC12H18N2O2S2
Molecular Weight286.42 g/mol
Exact Mass286.08
IUPAC NameN-cyclopentyl-3-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanamide
SMILESCC1SC(=S)N(CCC(=O)NC2CCCC2)C1=O
InChIInChI=1S/C12H18N2O2S2/c1-8-11(16)14(12(17)18-8)7-6-10(15)13-9-4-2-3-5-9/h8-9H,2-7H2,1H3,(H,13,15)
InChIKeyDHWMIPQLZNXUKT-UHFFFAOYSA-N
XLogP1.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-cyclopentyl-3-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanamide 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 N-cyclopentyl-3-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanamide?
The IUPAC name of N-cyclopentyl-3-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanamide (CID 17033751) is N-cyclopentyl-3-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanamide.
What is the SMILES notation for N-cyclopentyl-3-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanamide?
The canonical SMILES for N-cyclopentyl-3-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanamide is CC1SC(=S)N(CCC(=O)NC2CCCC2)C1=O.
What is the InChIKey of N-cyclopentyl-3-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanamide?
The InChIKey is DHWMIPQLZNXUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S2/c1-8-11(16)14(12(17)18-8)7-6-10(15)13-9-4-2-3-5-9/h8-9H,2-7H2,1H3,(H,13,15).
What are the key properties of N-cyclopentyl-3-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanamide?
N-cyclopentyl-3-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanamide has a molecular weight of 286.42 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanamide is sourced from PubChem (CID 17033751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).