(5Z)-3-(morpholin-4-ylmethyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one

C13H15N3O2S2 — CID 5469471

IUPAC(5Z)-3-(morpholin-4-ylmethyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one
SMILESO=C1/C(=C/c2cccs2)NC(=S)N1CN1CCOCC1
InChIInChI=1S/C13H15N3O2S2/c17-12-11(8-10-2-1-7-20-10)14-13(19)16(12)9-15-3-5-18-6-4-15/h1-2,7-8H,3-6,9H2,(H,14,19)/b11-8-
InChIKeyIHKNAOKZLOKQDG-FLIBITNWSA-N
MW309.42 g/mol
LogP1.10
Rot. Bonds3

About (5Z)-3-(morpholin-4-ylmethyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one

(5Z)-3-(morpholin-4-ylmethyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one (PubChem CID 5469471) has the molecular formula C13H15N3O2S2 and a molecular weight of 309.42 g/mol. Its IUPAC name is (5Z)-3-(morpholin-4-ylmethyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one.

Molecular Properties

Compound Name(5Z)-3-(morpholin-4-ylmethyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one
PubChem CID5469471
Molecular FormulaC13H15N3O2S2
Molecular Weight309.42 g/mol
Exact Mass309.06
IUPAC Name(5Z)-3-(morpholin-4-ylmethyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one
SMILESO=C1/C(=C/c2cccs2)NC(=S)N1CN1CCOCC1
InChIInChI=1S/C13H15N3O2S2/c17-12-11(8-10-2-1-7-20-10)14-13(19)16(12)9-15-3-5-18-6-4-15/h1-2,7-8H,3-6,9H2,(H,14,19)/b11-8-
InChIKeyIHKNAOKZLOKQDG-FLIBITNWSA-N
XLogP1.10
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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 (5Z)-3-(morpholin-4-ylmethyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one?
The IUPAC name of (5Z)-3-(morpholin-4-ylmethyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one (CID 5469471) is (5Z)-3-(morpholin-4-ylmethyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one.
What is the SMILES notation for (5Z)-3-(morpholin-4-ylmethyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one?
The canonical SMILES for (5Z)-3-(morpholin-4-ylmethyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one is O=C1/C(=C/c2cccs2)NC(=S)N1CN1CCOCC1.
What is the InChIKey of (5Z)-3-(morpholin-4-ylmethyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one?
The InChIKey is IHKNAOKZLOKQDG-FLIBITNWSA-N. The full InChI is InChI=1S/C13H15N3O2S2/c17-12-11(8-10-2-1-7-20-10)14-13(19)16(12)9-15-3-5-18-6-4-15/h1-2,7-8H,3-6,9H2,(H,14,19)/b11-8-.
What are the key properties of (5Z)-3-(morpholin-4-ylmethyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one?
(5Z)-3-(morpholin-4-ylmethyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one has a molecular weight of 309.42 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(morpholin-4-ylmethyl)-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one is sourced from PubChem (CID 5469471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).