3-[3-(diethylamino)propyl]-5-(2-morpholin-4-yl-2-oxoethyl)-2-sulfanylidene-1,3-thiazolidin-4-one

C16H27N3O3S2 — CID 18892120

IUPAC3-[3-(diethylamino)propyl]-5-(2-morpholin-4-yl-2-oxoethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCCN(CC)CCCN1C(=O)C(CC(=O)N2CCOCC2)SC1=S
InChIInChI=1S/C16H27N3O3S2/c1-3-17(4-2)6-5-7-19-15(21)13(24-16(19)23)12-14(20)18-8-10-22-11-9-18/h13H,3-12H2,1-2H3
InChIKeyHEKMEPRCVOJGJB-UHFFFAOYSA-N
MW373.54 g/mol
LogP1.20
Rot. Bonds8

About 3-[3-(diethylamino)propyl]-5-(2-morpholin-4-yl-2-oxoethyl)-2-sulfanylidene-1,3-thiazolidin-4-one

3-[3-(diethylamino)propyl]-5-(2-morpholin-4-yl-2-oxoethyl)-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 18892120) has the molecular formula C16H27N3O3S2 and a molecular weight of 373.54 g/mol. Its IUPAC name is 3-[3-(diethylamino)propyl]-5-(2-morpholin-4-yl-2-oxoethyl)-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[3-(diethylamino)propyl]-5-(2-morpholin-4-yl-2-oxoethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID18892120
Molecular FormulaC16H27N3O3S2
Molecular Weight373.54 g/mol
Exact Mass373.15
IUPAC Name3-[3-(diethylamino)propyl]-5-(2-morpholin-4-yl-2-oxoethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCCN(CC)CCCN1C(=O)C(CC(=O)N2CCOCC2)SC1=S
InChIInChI=1S/C16H27N3O3S2/c1-3-17(4-2)6-5-7-19-15(21)13(24-16(19)23)12-14(20)18-8-10-22-11-9-18/h13H,3-12H2,1-2H3
InChIKeyHEKMEPRCVOJGJB-UHFFFAOYSA-N
XLogP1.20
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.54
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

5-ethyl-3-(6-morpholin-4-yl-6-oxohexyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 17034211
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
5-ethyl-3-(3-morpholin-4-yl-3-oxopropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 17033693
2-[(5R)-3-[3-(dimethylamino)propyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl]acetic acid
CID 99967559
3-[3-(diethylamino)propyl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 53375713
(5S)-3-benzyl-5-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 40829971
2-[2-aminoethyl(butyl)amino]-1-morpholin-4-ylethanone
CID 63758934
(1R,2S,6S,7R)-4-[3-(diethylamino)propyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 98121375
4-(diethylamino)-3-methyl-1-morpholin-4-ylbutan-1-one
CID 166717166
1-(1-methylpiperidin-4-yl)-3-(2-morpholin-4-yl-2-oxoethyl)piperidin-2-one
CID 20590481
4-[2-hydroxyethyl(propyl)amino]-1-morpholin-4-ylbutan-1-one
CID 62014831

Frequently Asked Questions

What is the IUPAC name of 3-[3-(diethylamino)propyl]-5-(2-morpholin-4-yl-2-oxoethyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of 3-[3-(diethylamino)propyl]-5-(2-morpholin-4-yl-2-oxoethyl)-2-sulfanylidene-1,3-thiazolidin-4-one (CID 18892120) is 3-[3-(diethylamino)propyl]-5-(2-morpholin-4-yl-2-oxoethyl)-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[3-(diethylamino)propyl]-5-(2-morpholin-4-yl-2-oxoethyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[3-(diethylamino)propyl]-5-(2-morpholin-4-yl-2-oxoethyl)-2-sulfanylidene-1,3-thiazolidin-4-one is CCN(CC)CCCN1C(=O)C(CC(=O)N2CCOCC2)SC1=S.
What is the InChIKey of 3-[3-(diethylamino)propyl]-5-(2-morpholin-4-yl-2-oxoethyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is HEKMEPRCVOJGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3S2/c1-3-17(4-2)6-5-7-19-15(21)13(24-16(19)23)12-14(20)18-8-10-22-11-9-18/h13H,3-12H2,1-2H3.
What are the key properties of 3-[3-(diethylamino)propyl]-5-(2-morpholin-4-yl-2-oxoethyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
3-[3-(diethylamino)propyl]-5-(2-morpholin-4-yl-2-oxoethyl)-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 373.54 g/mol, XLogP of 1.20, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(diethylamino)propyl]-5-(2-morpholin-4-yl-2-oxoethyl)-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 18892120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).