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

C17H20N2O3S2 — CID 18892123

IUPAC5-(2-morpholin-4-yl-2-oxoethyl)-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C(CC1SC(=S)N(CCc2ccccc2)C1=O)N1CCOCC1
InChIInChI=1S/C17H20N2O3S2/c20-15(18-8-10-22-11-9-18)12-14-16(21)19(17(23)24-14)7-6-13-4-2-1-3-5-13/h1-5,14H,6-12H2
InChIKeyPYDIQSALMPFCBM-UHFFFAOYSA-N
MW364.49 g/mol
LogP1.71
Rot. Bonds5

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

5-(2-morpholin-4-yl-2-oxoethyl)-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 18892123) has the molecular formula C17H20N2O3S2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 5-(2-morpholin-4-yl-2-oxoethyl)-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-(2-morpholin-4-yl-2-oxoethyl)-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID18892123
Molecular FormulaC17H20N2O3S2
Molecular Weight364.49 g/mol
Exact Mass364.09
IUPAC Name5-(2-morpholin-4-yl-2-oxoethyl)-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C(CC1SC(=S)N(CCc2ccccc2)C1=O)N1CCOCC1
InChIInChI=1S/C17H20N2O3S2/c20-15(18-8-10-22-11-9-18)12-14-16(21)19(17(23)24-14)7-6-13-4-2-1-3-5-13/h1-5,14H,6-12H2
InChIKeyPYDIQSALMPFCBM-UHFFFAOYSA-N
XLogP1.71
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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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-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 18892118
2-[(5R)-4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 41282046
5-ethyl-3-(3-morpholin-4-yl-3-oxopropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 17033693
(5S)-3-benzyl-5-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 40829971
5-ethyl-3-(6-morpholin-4-yl-6-oxohexyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 17034211
1-morpholin-4-yl-3-phenylpropan-1-one
CID 532825
N-(4-ethoxyphenyl)-2-[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-yl]acetamide
CID 18891991
5-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-3-(2-phenylethyl)imidazolidine-2,4-dione
CID 91823187
3-benzyl-5-phenacyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 14899446
1-morpholin-4-yl-2-[(7S)-5-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethanone
CID 124797101
1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 113073687

Frequently Asked Questions

What is the IUPAC name of 5-(2-morpholin-4-yl-2-oxoethyl)-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of 5-(2-morpholin-4-yl-2-oxoethyl)-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one (CID 18892123) is 5-(2-morpholin-4-yl-2-oxoethyl)-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-(2-morpholin-4-yl-2-oxoethyl)-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for 5-(2-morpholin-4-yl-2-oxoethyl)-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one is O=C(CC1SC(=S)N(CCc2ccccc2)C1=O)N1CCOCC1.
What is the InChIKey of 5-(2-morpholin-4-yl-2-oxoethyl)-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is PYDIQSALMPFCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S2/c20-15(18-8-10-22-11-9-18)12-14-16(21)19(17(23)24-14)7-6-13-4-2-1-3-5-13/h1-5,14H,6-12H2.
What are the key properties of 5-(2-morpholin-4-yl-2-oxoethyl)-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
5-(2-morpholin-4-yl-2-oxoethyl)-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 364.49 g/mol, XLogP of 1.71, 5 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-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 18892123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).