5-ethyl-3-(3-morpholin-4-yl-3-oxopropyl)-2-sulfanylidene-1,3-thiazolidin-4-one

C12H18N2O3S2 — CID 17033693

IUPAC5-ethyl-3-(3-morpholin-4-yl-3-oxopropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCCC1SC(=S)N(CCC(=O)N2CCOCC2)C1=O
InChIInChI=1S/C12H18N2O3S2/c1-2-9-11(16)14(12(18)19-9)4-3-10(15)13-5-7-17-8-6-13/h9H,2-8H2,1H3
InChIKeyLVARYCRVOBATJI-UHFFFAOYSA-N
MW302.42 g/mol
LogP0.87
Rot. Bonds4

About 5-ethyl-3-(3-morpholin-4-yl-3-oxopropyl)-2-sulfanylidene-1,3-thiazolidin-4-one

5-ethyl-3-(3-morpholin-4-yl-3-oxopropyl)-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 17033693) has the molecular formula C12H18N2O3S2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 5-ethyl-3-(3-morpholin-4-yl-3-oxopropyl)-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-ethyl-3-(3-morpholin-4-yl-3-oxopropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID17033693
Molecular FormulaC12H18N2O3S2
Molecular Weight302.42 g/mol
Exact Mass302.08
IUPAC Name5-ethyl-3-(3-morpholin-4-yl-3-oxopropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCCC1SC(=S)N(CCC(=O)N2CCOCC2)C1=O
InChIInChI=1S/C12H18N2O3S2/c1-2-9-11(16)14(12(18)19-9)4-3-10(15)13-5-7-17-8-6-13/h9H,2-8H2,1H3
InChIKeyLVARYCRVOBATJI-UHFFFAOYSA-N
XLogP0.87
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 50.87
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'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-(3-morpholin-4-yl-3-oxopropyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of 5-ethyl-3-(3-morpholin-4-yl-3-oxopropyl)-2-sulfanylidene-1,3-thiazolidin-4-one (CID 17033693) is 5-ethyl-3-(3-morpholin-4-yl-3-oxopropyl)-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-ethyl-3-(3-morpholin-4-yl-3-oxopropyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for 5-ethyl-3-(3-morpholin-4-yl-3-oxopropyl)-2-sulfanylidene-1,3-thiazolidin-4-one is CCC1SC(=S)N(CCC(=O)N2CCOCC2)C1=O.
What is the InChIKey of 5-ethyl-3-(3-morpholin-4-yl-3-oxopropyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is LVARYCRVOBATJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S2/c1-2-9-11(16)14(12(18)19-9)4-3-10(15)13-5-7-17-8-6-13/h9H,2-8H2,1H3.
What are the key properties of 5-ethyl-3-(3-morpholin-4-yl-3-oxopropyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
5-ethyl-3-(3-morpholin-4-yl-3-oxopropyl)-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 302.42 g/mol, XLogP of 0.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-(3-morpholin-4-yl-3-oxopropyl)-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 17033693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).