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

C16H20ClN3O2S — CID 3043426

IUPAC2-(4-chlorophenyl)imino-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\c2ccc(Cl)cc2)N1CCCN1CCOCC1
InChIInChI=1S/C16H20ClN3O2S/c17-13-2-4-14(5-3-13)18-16-20(15(21)12-23-16)7-1-6-19-8-10-22-11-9-19/h2-5H,1,6-12H2/b18-16-
InChIKeyIKJOJBUFLNQTND-VLGSPTGOSA-N
MW353.88 g/mol
LogP2.63
Rot. Bonds5

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

2-(4-chlorophenyl)imino-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one (PubChem CID 3043426) has the molecular formula C16H20ClN3O2S and a molecular weight of 353.88 g/mol. Its IUPAC name is 2-(4-chlorophenyl)imino-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)imino-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one
PubChem CID3043426
Molecular FormulaC16H20ClN3O2S
Molecular Weight353.88 g/mol
Exact Mass353.10
IUPAC Name2-(4-chlorophenyl)imino-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N\c2ccc(Cl)cc2)N1CCCN1CCOCC1
InChIInChI=1S/C16H20ClN3O2S/c17-13-2-4-14(5-3-13)18-16-20(15(21)12-23-16)7-1-6-19-8-10-22-11-9-19/h2-5H,1,6-12H2/b18-16-
InChIKeyIKJOJBUFLNQTND-VLGSPTGOSA-N
XLogP2.63
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.88
LogP ≤ 52.63
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

3-(4-Chlorophenyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 2052870
N-(4-chlorophenyl)-2-(2-morpholin-4-yl-4-oxo-1,3-thiazol-5-yl)acetamide
CID 16303723
3-(3-Morpholinopropyl)-2-(phenylimino)-4-thiazolidinone
CID 3043420
(Z)-(p-chlorophenyl)(4-methyl-3-morpholino-2,3-dihydro-1,3-thiazol-2-ylidene)amine
CID 8669894
4-(4-Chlorophenyl)-8-(2-methoxyacetyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
CID 46112844
ethyl (2Z)-2-[2-(4-chlorophenyl)imino-3-[3-(4-methylpiperazin-1-yl)propyl]-4-oxo-1,3-thiazolidin-5-ylidene]acetate
CID 178321892
(Z)-1-(2-((2-chlorophenyl)imino)-4-methyl-3-(3-morpholinopropyl)-2,3-dihydrothiazol-5-yl)ethanone
CID 7615062
(2Z,5E)-2-[(4-chlorophenyl)imino]-3-ethyl-5-(1-methylpyridin-2(1H)-ylidene)-1,3-thiazolidin-4-one
CID 5372276
2-(4-Chlorophenyl)imino-3-cyclohexyl-1,3-thiazolidin-4-one
CID 139220987
methyl N-(4-chlorophenyl)morpholine-4-carboximidothioate
CID 146170233
2-[2-(4-chlorophenyl)imino-3-(3-morpholin-4-ylpropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide
CID 5041223
1-[2-(3,4-Dichlorophenyl)imino-1,3-thiazinan-3-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 55755225

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)imino-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4-chlorophenyl)imino-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one (CID 3043426) is 2-(4-chlorophenyl)imino-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4-chlorophenyl)imino-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4-chlorophenyl)imino-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one is O=C1CS/C(=N\c2ccc(Cl)cc2)N1CCCN1CCOCC1.
What is the InChIKey of 2-(4-chlorophenyl)imino-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one?
The InChIKey is IKJOJBUFLNQTND-VLGSPTGOSA-N. The full InChI is InChI=1S/C16H20ClN3O2S/c17-13-2-4-14(5-3-13)18-16-20(15(21)12-23-16)7-1-6-19-8-10-22-11-9-19/h2-5H,1,6-12H2/b18-16-.
What are the key properties of 2-(4-chlorophenyl)imino-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one?
2-(4-chlorophenyl)imino-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one has a molecular weight of 353.88 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)imino-3-(3-morpholin-4-ylpropyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3043426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).