2-(2,4-dimethylphenyl)imino-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one

C18H25N3O2S — CID 3043423

IUPAC2-(2,4-dimethylphenyl)imino-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one
SMILESCc1ccc(/N=C2\SCC(=O)N2CCCN2CCOCC2)c(C)c1
InChIInChI=1S/C18H25N3O2S/c1-14-4-5-16(15(2)12-14)19-18-21(17(22)13-24-18)7-3-6-20-8-10-23-11-9-20/h4-5,12H,3,6-11,13H2,1-2H3/b19-18-
InChIKeySZXTYPILBGWPQL-HNENSFHCSA-N
MW347.48 g/mol
LogP2.59
Rot. Bonds5

About 2-(2,4-dimethylphenyl)imino-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one

2-(2,4-dimethylphenyl)imino-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one (PubChem CID 3043423) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)imino-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)imino-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one
PubChem CID3043423
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC Name2-(2,4-dimethylphenyl)imino-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one
SMILESCc1ccc(/N=C2\SCC(=O)N2CCCN2CCOCC2)c(C)c1
InChIInChI=1S/C18H25N3O2S/c1-14-4-5-16(15(2)12-14)19-18-21(17(22)13-24-18)7-3-6-20-8-10-23-11-9-20/h4-5,12H,3,6-11,13H2,1-2H3/b19-18-
InChIKeySZXTYPILBGWPQL-HNENSFHCSA-N
XLogP2.59
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-hydroxy-3-(2-methylphenyl)-2-{[2-(4-morpholinyl)-2-oxoethyl]thio}-4(3H)-pyrimidinone
CID 135494995
3-(3-Morpholinopropyl)-2-(phenylimino)-4-thiazolidinone
CID 3043420
3-Ethyl-2-(ethylimino)-5-[2-methyl-4-(4-morpholinyl)benzylidene]-1,3-thiazolidin-4-one
CID 2187656
5-[3-Fluoro-4-(4-morpholinyl)benzylidene]-3-methyl-2-(methylimino)-1,3-thiazolidin-4-one
CID 5567865
3-Benzyl-2-[(2-methylphenyl)imino]-1,3-thiazolidin-4-one
CID 7514664
(2Z)-2-[(4-morpholin-4-ylphenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one
CID 71699609
6-hydroxy-2-((2-morpholino-2-oxoethyl)thio)-3-(p-tolyl)pyrimidin-4(3H)-one
CID 135485270
(E)-5-(4-(diethylamino)benzylidene)-2-morpholinothiazol-4(5H)-one
CID 691560
3-(3-Morpholinopropyl)-2-(o-tolylimino)-4-thiazolidinone
CID 3043421
3-(3-Morpholinopropyl)-2-(p-tolylimino)-4-thiazolidinone
CID 3043422
3-(3-Morpholinopropyl)-2-(2,6-xylylimino)-4-thiazolidinone
CID 3043424
3-(3-(4-Morpholinyl)propyl)-2-(1-naphthalenylimino)-4-thiazolidinone
CID 3043427

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)imino-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2,4-dimethylphenyl)imino-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one (CID 3043423) is 2-(2,4-dimethylphenyl)imino-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2,4-dimethylphenyl)imino-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2,4-dimethylphenyl)imino-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one is Cc1ccc(/N=C2\SCC(=O)N2CCCN2CCOCC2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)imino-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one?
The InChIKey is SZXTYPILBGWPQL-HNENSFHCSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-14-4-5-16(15(2)12-14)19-18-21(17(22)13-24-18)7-3-6-20-8-10-23-11-9-20/h4-5,12H,3,6-11,13H2,1-2H3/b19-18-.
What are the key properties of 2-(2,4-dimethylphenyl)imino-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one?
2-(2,4-dimethylphenyl)imino-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one has a molecular weight of 347.48 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)imino-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3043423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).