2-(3-morpholin-4-yl-3-oxopropyl)imino-1,3-thiazolidin-4-one

C10H15N3O3S — CID 141220411

IUPAC2-(3-morpholin-4-yl-3-oxopropyl)imino-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\CCC(=O)N2CCOCC2)N1
InChIInChI=1S/C10H15N3O3S/c14-8-7-17-10(12-8)11-2-1-9(15)13-3-5-16-6-4-13/h1-7H2,(H,11,12,14)
InChIKeyJQXXTQFRHGWDKR-UHFFFAOYSA-N
MW257.31 g/mol
LogP-0.55
Rot. Bonds3

About 2-(3-morpholin-4-yl-3-oxopropyl)imino-1,3-thiazolidin-4-one

2-(3-morpholin-4-yl-3-oxopropyl)imino-1,3-thiazolidin-4-one (PubChem CID 141220411) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-(3-morpholin-4-yl-3-oxopropyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(3-morpholin-4-yl-3-oxopropyl)imino-1,3-thiazolidin-4-one
PubChem CID141220411
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name2-(3-morpholin-4-yl-3-oxopropyl)imino-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\CCC(=O)N2CCOCC2)N1
InChIInChI=1S/C10H15N3O3S/c14-8-7-17-10(12-8)11-2-1-9(15)13-3-5-16-6-4-13/h1-7H2,(H,11,12,14)
InChIKeyJQXXTQFRHGWDKR-UHFFFAOYSA-N
XLogP-0.55
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-morpholin-4-ylethanone
CID 1711678
2-(2-Morpholin-4-ylethylimino)-1,3-thiazolidin-4-one
CID 137163350
6-Methyl-2-(2-morpholin-4-yl-2-oxoethylthio)-1,5,6-trihydropyrimidin-4-one
CID 4689209
(4R)-4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-4,5-dihydro-1H-pyrimidin-6-one
CID 40721122
(4S)-4-methyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-4,5-dihydro-1H-pyrimidin-6-one
CID 40724288
3-(4,5-dihydro-1,3-thiazol-2-ylamino)-N-(2-methoxyethyl)propanamide
CID 104427213
N-(2-methoxyethyl)-3-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide
CID 104427218
3-(4,5-Dihydro-1,3-thiazol-2-ylamino)-1-morpholin-4-ylpropan-1-one
CID 104435055
3-[(5,5-Dimethyl-4,6-dihydro-1,3-thiazin-2-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 104435056
3-[(5-Methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 104435057
3-[(5-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 104435059
3-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)-1-morpholin-4-ylpropan-1-one
CID 104435067

Frequently Asked Questions

What is the IUPAC name of 2-(3-morpholin-4-yl-3-oxopropyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of 2-(3-morpholin-4-yl-3-oxopropyl)imino-1,3-thiazolidin-4-one (CID 141220411) is 2-(3-morpholin-4-yl-3-oxopropyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(3-morpholin-4-yl-3-oxopropyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(3-morpholin-4-yl-3-oxopropyl)imino-1,3-thiazolidin-4-one is O=C1CS/C(=N\CCC(=O)N2CCOCC2)N1.
What is the InChIKey of 2-(3-morpholin-4-yl-3-oxopropyl)imino-1,3-thiazolidin-4-one?
The InChIKey is JQXXTQFRHGWDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c14-8-7-17-10(12-8)11-2-1-9(15)13-3-5-16-6-4-13/h1-7H2,(H,11,12,14).
What are the key properties of 2-(3-morpholin-4-yl-3-oxopropyl)imino-1,3-thiazolidin-4-one?
2-(3-morpholin-4-yl-3-oxopropyl)imino-1,3-thiazolidin-4-one has a molecular weight of 257.31 g/mol, XLogP of -0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-morpholin-4-yl-3-oxopropyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 141220411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).