5-ethyl-3-(6-morpholin-4-yl-6-oxohexyl)-2-sulfanylidene-1,3-thiazolidin-4-one

C15H24N2O3S2 — CID 17034211

IUPAC5-ethyl-3-(6-morpholin-4-yl-6-oxohexyl)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCCC1SC(=S)N(CCCCCC(=O)N2CCOCC2)C1=O
InChIInChI=1S/C15H24N2O3S2/c1-2-12-14(19)17(15(21)22-12)7-5-3-4-6-13(18)16-8-10-20-11-9-16/h12H,2-11H2,1H3
InChIKeyHTXPEJOKNUJGAC-UHFFFAOYSA-N
MW344.50 g/mol
LogP2.04
Rot. Bonds7

About 5-ethyl-3-(6-morpholin-4-yl-6-oxohexyl)-2-sulfanylidene-1,3-thiazolidin-4-one

5-ethyl-3-(6-morpholin-4-yl-6-oxohexyl)-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 17034211) has the molecular formula C15H24N2O3S2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 5-ethyl-3-(6-morpholin-4-yl-6-oxohexyl)-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-ethyl-3-(6-morpholin-4-yl-6-oxohexyl)-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID17034211
Molecular FormulaC15H24N2O3S2
Molecular Weight344.50 g/mol
Exact Mass344.12
IUPAC Name5-ethyl-3-(6-morpholin-4-yl-6-oxohexyl)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCCC1SC(=S)N(CCCCCC(=O)N2CCOCC2)C1=O
InChIInChI=1S/C15H24N2O3S2/c1-2-12-14(19)17(15(21)22-12)7-5-3-4-6-13(18)16-8-10-20-11-9-16/h12H,2-11H2,1H3
InChIKeyHTXPEJOKNUJGAC-UHFFFAOYSA-N
XLogP2.04
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-3-(3-morpholin-4-yl-3-oxopropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 17033693
3-[3-(diethylamino)propyl]-5-(2-morpholin-4-yl-2-oxoethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 18892120
6-[(5R)-5-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
CID 7657081
5-(2-morpholin-4-yl-2-oxoethyl)-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 18892123
5-(2-morpholin-4-yl-2-oxoethyl)-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 18892118
1-morpholin-4-ylheptan-1-one;hydrochloride
CID 175124060
6-(5-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-phenylhexanamide
CID 17034152
6-(5-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-methyl-N-phenylhexanamide
CID 17034201
2-(6-morpholin-4-yl-6-oxohexyl)isoindole-1,3-dione
CID 3620620
ethane;1-morpholin-4-ylhexan-1-one
CID 143214280
N-(3,4-dimethylphenyl)-6-(5-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanamide
CID 17034159
1-morpholin-4-yl-2-(4-octanoylpiperazin-1-yl)ethane-1,2-dione
CID 55554342

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-(6-morpholin-4-yl-6-oxohexyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of 5-ethyl-3-(6-morpholin-4-yl-6-oxohexyl)-2-sulfanylidene-1,3-thiazolidin-4-one (CID 17034211) is 5-ethyl-3-(6-morpholin-4-yl-6-oxohexyl)-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-ethyl-3-(6-morpholin-4-yl-6-oxohexyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for 5-ethyl-3-(6-morpholin-4-yl-6-oxohexyl)-2-sulfanylidene-1,3-thiazolidin-4-one is CCC1SC(=S)N(CCCCCC(=O)N2CCOCC2)C1=O.
What is the InChIKey of 5-ethyl-3-(6-morpholin-4-yl-6-oxohexyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is HTXPEJOKNUJGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S2/c1-2-12-14(19)17(15(21)22-12)7-5-3-4-6-13(18)16-8-10-20-11-9-16/h12H,2-11H2,1H3.
What are the key properties of 5-ethyl-3-(6-morpholin-4-yl-6-oxohexyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
5-ethyl-3-(6-morpholin-4-yl-6-oxohexyl)-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 344.50 g/mol, XLogP of 2.04, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-(6-morpholin-4-yl-6-oxohexyl)-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 17034211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).