(5E)-5-[(3-fluorophenyl)methylidene]-3-(morpholin-4-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one

C15H15FN2O2S2 — CID 6447910

IUPAC(5E)-5-[(3-fluorophenyl)methylidene]-3-(morpholin-4-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1/C(=C\c2cccc(F)c2)SC(=S)N1CN1CCOCC1
InChIInChI=1S/C15H15FN2O2S2/c16-12-3-1-2-11(8-12)9-13-14(19)18(15(21)22-13)10-17-4-6-20-7-5-17/h1-3,8-9H,4-7,10H2/b13-9+
InChIKeyRJGJDAZZEFKXPX-UKTHLTGXSA-N
MW338.43 g/mol
LogP2.32
Rot. Bonds3

About (5E)-5-[(3-fluorophenyl)methylidene]-3-(morpholin-4-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one

(5E)-5-[(3-fluorophenyl)methylidene]-3-(morpholin-4-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 6447910) has the molecular formula C15H15FN2O2S2 and a molecular weight of 338.43 g/mol. Its IUPAC name is (5E)-5-[(3-fluorophenyl)methylidene]-3-(morpholin-4-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-[(3-fluorophenyl)methylidene]-3-(morpholin-4-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID6447910
Molecular FormulaC15H15FN2O2S2
Molecular Weight338.43 g/mol
Exact Mass338.06
IUPAC Name(5E)-5-[(3-fluorophenyl)methylidene]-3-(morpholin-4-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1/C(=C\c2cccc(F)c2)SC(=S)N1CN1CCOCC1
InChIInChI=1S/C15H15FN2O2S2/c16-12-3-1-2-11(8-12)9-13-14(19)18(15(21)22-13)10-17-4-6-20-7-5-17/h1-3,8-9H,4-7,10H2/b13-9+
InChIKeyRJGJDAZZEFKXPX-UKTHLTGXSA-N
XLogP2.32
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(3-fluorophenyl)methylidene]-3-(morpholin-4-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-5-[(3-fluorophenyl)methylidene]-3-(morpholin-4-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one (CID 6447910) is (5E)-5-[(3-fluorophenyl)methylidene]-3-(morpholin-4-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-5-[(3-fluorophenyl)methylidene]-3-(morpholin-4-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-5-[(3-fluorophenyl)methylidene]-3-(morpholin-4-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one is O=C1/C(=C\c2cccc(F)c2)SC(=S)N1CN1CCOCC1.
What is the InChIKey of (5E)-5-[(3-fluorophenyl)methylidene]-3-(morpholin-4-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is RJGJDAZZEFKXPX-UKTHLTGXSA-N. The full InChI is InChI=1S/C15H15FN2O2S2/c16-12-3-1-2-11(8-12)9-13-14(19)18(15(21)22-13)10-17-4-6-20-7-5-17/h1-3,8-9H,4-7,10H2/b13-9+.
What are the key properties of (5E)-5-[(3-fluorophenyl)methylidene]-3-(morpholin-4-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
(5E)-5-[(3-fluorophenyl)methylidene]-3-(morpholin-4-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 338.43 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(3-fluorophenyl)methylidene]-3-(morpholin-4-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 6447910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).