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

C16H21N3O2S — CID 3043420

IUPAC3-(3-morpholin-4-ylpropyl)-2-phenylimino-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\c2ccccc2)N1CCCN1CCOCC1
InChIInChI=1S/C16H21N3O2S/c20-15-13-22-16(17-14-5-2-1-3-6-14)19(15)8-4-7-18-9-11-21-12-10-18/h1-3,5-6H,4,7-13H2/b17-16-
InChIKeyVHYXCLOASBURTO-MSUUIHNZSA-N
MW319.43 g/mol
LogP1.97
Rot. Bonds5

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

3-(3-morpholin-4-ylpropyl)-2-phenylimino-1,3-thiazolidin-4-one (PubChem CID 3043420) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is 3-(3-morpholin-4-ylpropyl)-2-phenylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(3-morpholin-4-ylpropyl)-2-phenylimino-1,3-thiazolidin-4-one
PubChem CID3043420
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name3-(3-morpholin-4-ylpropyl)-2-phenylimino-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\c2ccccc2)N1CCCN1CCOCC1
InChIInChI=1S/C16H21N3O2S/c20-15-13-22-16(17-14-5-2-1-3-6-14)19(15)8-4-7-18-9-11-21-12-10-18/h1-3,5-6H,4,7-13H2/b17-16-
InChIKeyVHYXCLOASBURTO-MSUUIHNZSA-N
XLogP1.97
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(3-morpholin-4-ylpropyl)-2-phenylimino-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl N-phenyl-4-morpholinecarbimidothioate
CID 18558755
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 135464466
1-[3-(4-Methyl-2-phenylimino-1,3-thiazol-3-yl)propyl]pyrrolidin-2-one
CID 2381300
1-(2-Phenylimino-1,3-thiazinan-3-yl)ethanone
CID 2426852
2-((2-morpholino-2-oxoethyl)thio)-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one
CID 2155101
2-[3-methyl-2-(methylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-[4-(4-morpholinyl)phenyl]acetamide
CID 2939340
2-[(2Z)-3-ethyl-2-(ethylimino)-4-oxo-1,3-thiazolidin-5-yl]-N-[4-(morpholin-4-yl)phenyl]acetamide
CID 3147898
(Z)-N-(3-methylbenzo[d]thiazol-2(3H)-ylidene)-2-((2-morpholino-2-oxoethyl)thio)acetamide
CID 3237163
6-methyl-2-((2-morpholino-2-oxoethyl)thio)-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one
CID 4176470
3-(3-Morpholinopropyl)-2-(o-tolylimino)-4-thiazolidinone
CID 3043421
3-(3-Morpholinopropyl)-2-(p-tolylimino)-4-thiazolidinone
CID 3043422
2-((2,4-Dimethylphenyl)imino)-3-(3-(4-morpholinyl)propyl)-4-thiazolidinone
CID 3043423

Frequently Asked Questions

What is the IUPAC name of 3-(3-morpholin-4-ylpropyl)-2-phenylimino-1,3-thiazolidin-4-one?
The IUPAC name of 3-(3-morpholin-4-ylpropyl)-2-phenylimino-1,3-thiazolidin-4-one (CID 3043420) is 3-(3-morpholin-4-ylpropyl)-2-phenylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(3-morpholin-4-ylpropyl)-2-phenylimino-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(3-morpholin-4-ylpropyl)-2-phenylimino-1,3-thiazolidin-4-one is O=C1CS/C(=N\c2ccccc2)N1CCCN1CCOCC1.
What is the InChIKey of 3-(3-morpholin-4-ylpropyl)-2-phenylimino-1,3-thiazolidin-4-one?
The InChIKey is VHYXCLOASBURTO-MSUUIHNZSA-N. The full InChI is InChI=1S/C16H21N3O2S/c20-15-13-22-16(17-14-5-2-1-3-6-14)19(15)8-4-7-18-9-11-21-12-10-18/h1-3,5-6H,4,7-13H2/b17-16-.
What are the key properties of 3-(3-morpholin-4-ylpropyl)-2-phenylimino-1,3-thiazolidin-4-one?
3-(3-morpholin-4-ylpropyl)-2-phenylimino-1,3-thiazolidin-4-one has a molecular weight of 319.43 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-morpholin-4-ylpropyl)-2-phenylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 3043420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).