5-(2-morpholin-4-yl-2-oxoethyl)-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one

C12H16N2O3S2 — CID 18892118

IUPAC5-(2-morpholin-4-yl-2-oxoethyl)-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESC=CCN1C(=O)C(CC(=O)N2CCOCC2)SC1=S
InChIInChI=1S/C12H16N2O3S2/c1-2-3-14-11(16)9(19-12(14)18)8-10(15)13-4-6-17-7-5-13/h2,9H,1,3-8H2
InChIKeyZEBKYRFUSOIPAG-UHFFFAOYSA-N
MW300.41 g/mol
LogP0.65
Rot. Bonds4

About 5-(2-morpholin-4-yl-2-oxoethyl)-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one

5-(2-morpholin-4-yl-2-oxoethyl)-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 18892118) has the molecular formula C12H16N2O3S2 and a molecular weight of 300.41 g/mol. Its IUPAC name is 5-(2-morpholin-4-yl-2-oxoethyl)-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-(2-morpholin-4-yl-2-oxoethyl)-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID18892118
Molecular FormulaC12H16N2O3S2
Molecular Weight300.41 g/mol
Exact Mass300.06
IUPAC Name5-(2-morpholin-4-yl-2-oxoethyl)-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESC=CCN1C(=O)C(CC(=O)N2CCOCC2)SC1=S
InChIInChI=1S/C12H16N2O3S2/c1-2-3-14-11(16)9(19-12(14)18)8-10(15)13-4-6-17-7-5-13/h2,9H,1,3-8H2
InChIKeyZEBKYRFUSOIPAG-UHFFFAOYSA-N
XLogP0.65
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(2-morpholin-4-yl-2-oxoethyl)-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-(diethylamino)propyl]-5-(2-morpholin-4-yl-2-oxoethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 18892120
5-(2-morpholin-4-yl-2-oxoethyl)-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 18892123
5-ethyl-3-(3-morpholin-4-yl-3-oxopropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 17033693
5-ethyl-3-(6-morpholin-4-yl-6-oxohexyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 17034211
(5S)-3-benzyl-5-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 40829971
1-morpholin-4-yl-3-(prop-2-enylamino)propan-1-one
CID 109011993
2-cycloheptylimino-5-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidin-4-one
CID 135989626
2-[(5S)-2-(4-morpholin-4-ylsulfonylphenyl)imino-4-oxo-3-prop-2-enyl-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 26916396
(5E)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6378534
3-(2-morpholin-4-yl-2-oxoethyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-one
CID 4893042
1-morpholin-4-yl-2-[phosphanyl(prop-2-enyl)amino]ethanone
CID 90069008
1-morpholin-4-yl-2-[(4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 47008011

Frequently Asked Questions

What is the IUPAC name of 5-(2-morpholin-4-yl-2-oxoethyl)-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of 5-(2-morpholin-4-yl-2-oxoethyl)-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one (CID 18892118) is 5-(2-morpholin-4-yl-2-oxoethyl)-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-(2-morpholin-4-yl-2-oxoethyl)-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for 5-(2-morpholin-4-yl-2-oxoethyl)-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one is C=CCN1C(=O)C(CC(=O)N2CCOCC2)SC1=S.
What is the InChIKey of 5-(2-morpholin-4-yl-2-oxoethyl)-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is ZEBKYRFUSOIPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S2/c1-2-3-14-11(16)9(19-12(14)18)8-10(15)13-4-6-17-7-5-13/h2,9H,1,3-8H2.
What are the key properties of 5-(2-morpholin-4-yl-2-oxoethyl)-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one?
5-(2-morpholin-4-yl-2-oxoethyl)-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 300.41 g/mol, XLogP of 0.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-morpholin-4-yl-2-oxoethyl)-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 18892118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).