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

C13H20N2O2S2 — CID 17033666

IUPACN-cyclopentyl-3-(5-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanamide
SMILESCCC1SC(=S)N(CCC(=O)NC2CCCC2)C1=O
InChIInChI=1S/C13H20N2O2S2/c1-2-10-12(17)15(13(18)19-10)8-7-11(16)14-9-5-3-4-6-9/h9-10H,2-8H2,1H3,(H,14,16)
InChIKeyGNZFVQLMSMHUPB-UHFFFAOYSA-N
MW300.45 g/mol
LogP2.07
Rot. Bonds5

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

N-cyclopentyl-3-(5-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanamide (PubChem CID 17033666) has the molecular formula C13H20N2O2S2 and a molecular weight of 300.45 g/mol. Its IUPAC name is N-cyclopentyl-3-(5-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanamide.

Molecular Properties

Compound NameN-cyclopentyl-3-(5-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanamide
PubChem CID17033666
Molecular FormulaC13H20N2O2S2
Molecular Weight300.45 g/mol
Exact Mass300.10
IUPAC NameN-cyclopentyl-3-(5-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanamide
SMILESCCC1SC(=S)N(CCC(=O)NC2CCCC2)C1=O
InChIInChI=1S/C13H20N2O2S2/c1-2-10-12(17)15(13(18)19-10)8-7-11(16)14-9-5-3-4-6-9/h9-10H,2-8H2,1H3,(H,14,16)
InChIKeyGNZFVQLMSMHUPB-UHFFFAOYSA-N
XLogP2.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 52.07
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'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-(5-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanamide?
The IUPAC name of N-cyclopentyl-3-(5-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanamide (CID 17033666) is N-cyclopentyl-3-(5-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanamide.
What is the SMILES notation for N-cyclopentyl-3-(5-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanamide?
The canonical SMILES for N-cyclopentyl-3-(5-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanamide is CCC1SC(=S)N(CCC(=O)NC2CCCC2)C1=O.
What is the InChIKey of N-cyclopentyl-3-(5-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanamide?
The InChIKey is GNZFVQLMSMHUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S2/c1-2-10-12(17)15(13(18)19-10)8-7-11(16)14-9-5-3-4-6-9/h9-10H,2-8H2,1H3,(H,14,16).
What are the key properties of N-cyclopentyl-3-(5-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanamide?
N-cyclopentyl-3-(5-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanamide has a molecular weight of 300.45 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-(5-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanamide is sourced from PubChem (CID 17033666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).