5-(2-oxo-2-pyrrolidin-1-ylethyl)-3-pentyl-2-sulfanylidene-1,3-thiazolidin-4-one

C14H22N2O2S2 — CID 71677747

IUPAC5-(2-oxo-2-pyrrolidin-1-ylethyl)-3-pentyl-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCCCCCN1C(=O)C(CC(=O)N2CCCC2)SC1=S
InChIInChI=1S/C14H22N2O2S2/c1-2-3-4-9-16-13(18)11(20-14(16)19)10-12(17)15-7-5-6-8-15/h11H,2-10H2,1H3
InChIKeyGQTCYKKNQDPARU-UHFFFAOYSA-N
MW314.48 g/mol
LogP2.42
Rot. Bonds6

About 5-(2-oxo-2-pyrrolidin-1-ylethyl)-3-pentyl-2-sulfanylidene-1,3-thiazolidin-4-one

5-(2-oxo-2-pyrrolidin-1-ylethyl)-3-pentyl-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 71677747) has the molecular formula C14H22N2O2S2 and a molecular weight of 314.48 g/mol. Its IUPAC name is 5-(2-oxo-2-pyrrolidin-1-ylethyl)-3-pentyl-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-(2-oxo-2-pyrrolidin-1-ylethyl)-3-pentyl-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID71677747
Molecular FormulaC14H22N2O2S2
Molecular Weight314.48 g/mol
Exact Mass314.11
IUPAC Name5-(2-oxo-2-pyrrolidin-1-ylethyl)-3-pentyl-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCCCCCN1C(=O)C(CC(=O)N2CCCC2)SC1=S
InChIInChI=1S/C14H22N2O2S2/c1-2-3-4-9-16-13(18)11(20-14(16)19)10-12(17)15-7-5-6-8-15/h11H,2-10H2,1H3
InChIKeyGQTCYKKNQDPARU-UHFFFAOYSA-N
XLogP2.42
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.48
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-oxo-2-pyrrolidin-1-ylethyl)-3-pentyl-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of 5-(2-oxo-2-pyrrolidin-1-ylethyl)-3-pentyl-2-sulfanylidene-1,3-thiazolidin-4-one (CID 71677747) is 5-(2-oxo-2-pyrrolidin-1-ylethyl)-3-pentyl-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-(2-oxo-2-pyrrolidin-1-ylethyl)-3-pentyl-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for 5-(2-oxo-2-pyrrolidin-1-ylethyl)-3-pentyl-2-sulfanylidene-1,3-thiazolidin-4-one is CCCCCN1C(=O)C(CC(=O)N2CCCC2)SC1=S.
What is the InChIKey of 5-(2-oxo-2-pyrrolidin-1-ylethyl)-3-pentyl-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is GQTCYKKNQDPARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S2/c1-2-3-4-9-16-13(18)11(20-14(16)19)10-12(17)15-7-5-6-8-15/h11H,2-10H2,1H3.
What are the key properties of 5-(2-oxo-2-pyrrolidin-1-ylethyl)-3-pentyl-2-sulfanylidene-1,3-thiazolidin-4-one?
5-(2-oxo-2-pyrrolidin-1-ylethyl)-3-pentyl-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 314.48 g/mol, XLogP of 2.42, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-oxo-2-pyrrolidin-1-ylethyl)-3-pentyl-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 71677747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).