(5Z)-3-(3-morpholin-4-ylpropyl)-2-sulfanylidene-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one

C15H18N2O2S3 — CID 17453639

IUPAC(5Z)-3-(3-morpholin-4-ylpropyl)-2-sulfanylidene-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one
SMILESO=C1/C(=C/c2ccsc2)SC(=S)N1CCCN1CCOCC1
InChIInChI=1S/C15H18N2O2S3/c18-14-13(10-12-2-9-21-11-12)22-15(20)17(14)4-1-3-16-5-7-19-8-6-16/h2,9-11H,1,3-8H2/b13-10-
InChIKeyURPJSMAFXSOHRE-RAXLEYEMSA-N
MW354.52 g/mol
LogP2.67
Rot. Bonds5

About (5Z)-3-(3-morpholin-4-ylpropyl)-2-sulfanylidene-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one

(5Z)-3-(3-morpholin-4-ylpropyl)-2-sulfanylidene-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one (PubChem CID 17453639) has the molecular formula C15H18N2O2S3 and a molecular weight of 354.52 g/mol. Its IUPAC name is (5Z)-3-(3-morpholin-4-ylpropyl)-2-sulfanylidene-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-3-(3-morpholin-4-ylpropyl)-2-sulfanylidene-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one
PubChem CID17453639
Molecular FormulaC15H18N2O2S3
Molecular Weight354.52 g/mol
Exact Mass354.05
IUPAC Name(5Z)-3-(3-morpholin-4-ylpropyl)-2-sulfanylidene-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one
SMILESO=C1/C(=C/c2ccsc2)SC(=S)N1CCCN1CCOCC1
InChIInChI=1S/C15H18N2O2S3/c18-14-13(10-12-2-9-21-11-12)22-15(20)17(14)4-1-3-16-5-7-19-8-6-16/h2,9-11H,1,3-8H2/b13-10-
InChIKeyURPJSMAFXSOHRE-RAXLEYEMSA-N
XLogP2.67
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.52
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 (5Z)-3-(3-morpholin-4-ylpropyl)-2-sulfanylidene-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-3-(3-morpholin-4-ylpropyl)-2-sulfanylidene-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one (CID 17453639) is (5Z)-3-(3-morpholin-4-ylpropyl)-2-sulfanylidene-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-3-(3-morpholin-4-ylpropyl)-2-sulfanylidene-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-3-(3-morpholin-4-ylpropyl)-2-sulfanylidene-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one is O=C1/C(=C/c2ccsc2)SC(=S)N1CCCN1CCOCC1.
What is the InChIKey of (5Z)-3-(3-morpholin-4-ylpropyl)-2-sulfanylidene-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one?
The InChIKey is URPJSMAFXSOHRE-RAXLEYEMSA-N. The full InChI is InChI=1S/C15H18N2O2S3/c18-14-13(10-12-2-9-21-11-12)22-15(20)17(14)4-1-3-16-5-7-19-8-6-16/h2,9-11H,1,3-8H2/b13-10-.
What are the key properties of (5Z)-3-(3-morpholin-4-ylpropyl)-2-sulfanylidene-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one?
(5Z)-3-(3-morpholin-4-ylpropyl)-2-sulfanylidene-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one has a molecular weight of 354.52 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(3-morpholin-4-ylpropyl)-2-sulfanylidene-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 17453639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).