(5Z)-5-[(3-methoxyphenyl)methylidene]-2-phenylimino-3-propyl-1,3-thiazolidin-4-one

C20H20N2O2S — CID 11667506

IUPAC(5Z)-5-[(3-methoxyphenyl)methylidene]-2-phenylimino-3-propyl-1,3-thiazolidin-4-one
SMILESCCCN1C(=O)/C(=C/c2cccc(OC)c2)S/C1=N/c1ccccc1
InChIInChI=1S/C20H20N2O2S/c1-3-12-22-19(23)18(14-15-8-7-11-17(13-15)24-2)25-20(22)21-16-9-5-4-6-10-16/h4-11,13-14H,3,12H2,1-2H3/b18-14-,21-20+
InChIKeyDVRMHOZELYBCKX-RABLAQOOSA-N
MW352.46 g/mol
LogP4.71
Rot. Bonds5

About (5Z)-5-[(3-methoxyphenyl)methylidene]-2-phenylimino-3-propyl-1,3-thiazolidin-4-one

(5Z)-5-[(3-methoxyphenyl)methylidene]-2-phenylimino-3-propyl-1,3-thiazolidin-4-one (PubChem CID 11667506) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is (5Z)-5-[(3-methoxyphenyl)methylidene]-2-phenylimino-3-propyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(3-methoxyphenyl)methylidene]-2-phenylimino-3-propyl-1,3-thiazolidin-4-one
PubChem CID11667506
Molecular FormulaC20H20N2O2S
Molecular Weight352.46 g/mol
Exact Mass352.12
IUPAC Name(5Z)-5-[(3-methoxyphenyl)methylidene]-2-phenylimino-3-propyl-1,3-thiazolidin-4-one
SMILESCCCN1C(=O)/C(=C/c2cccc(OC)c2)S/C1=N/c1ccccc1
InChIInChI=1S/C20H20N2O2S/c1-3-12-22-19(23)18(14-15-8-7-11-17(13-15)24-2)25-20(22)21-16-9-5-4-6-10-16/h4-11,13-14H,3,12H2,1-2H3/b18-14-,21-20+
InChIKeyDVRMHOZELYBCKX-RABLAQOOSA-N
XLogP4.71
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-(4-Methoxy-benzylidene)-2-(2-methoxy-phenylimino)-thiazolidin-4-one
CID 135478023
3-Ethyl-2-[(3-methoxyphenyl)methylsulfanyl]quinazolin-4-one
CID 2105619
(2E,5Z)-2-((4-methoxyphenyl)imino)-5-((E)-3-phenylallylidene)thiazolidin-4-one
CID 135418650
5-(4-Methoxy-benzylidene)-2-phenylimino-thiazolidin-4-one
CID 135465730
(2E,5Z)-5-[4-(dimethylamino)benzylidene]-2-[(4-ethoxyphenyl)imino]-3-ethyl-1,3-thiazolidin-4-one
CID 1809763
(7E)-3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methylidene]-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
CID 1842471
(Z,Z)-5-[4-(2-Hydroxy-ethoxy)-benzylidene]-2-isopropylimino-3-phenyl-thiazolidin-4-one
CID 11315069
(Z,Z)-5-[4-(3-Hydroxy-propoxy)-benzylidene]-2-isopropylimino-3-phenylthiazolidin-4-one
CID 46237052
(5Z)-5-benzylidene-2-(ethylthio)-3-(4-methoxyphenyl)-3,5-dihydro-4H-imidazol-4-one
CID 5850032
(7E)-7-[(4-methoxyphenyl)methylidene]-3-phenyl-2,4-dihydro-[1,3]thiazolo[3,2-a][1,3,5]triazin-6-one
CID 1384783
3-(4-methoxyphenyl)-7-(phenylmethylene)-2H,4H-1,3-thiazolidino[3,2-e]1,3,5-tri azin-6-one
CID 1605277
3-Benzyl-2-(benzylimino)-5-(3,4-dimethoxybenzylidene)-1,3-thiazolidin-4-one
CID 2263096

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(3-methoxyphenyl)methylidene]-2-phenylimino-3-propyl-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(3-methoxyphenyl)methylidene]-2-phenylimino-3-propyl-1,3-thiazolidin-4-one (CID 11667506) is (5Z)-5-[(3-methoxyphenyl)methylidene]-2-phenylimino-3-propyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(3-methoxyphenyl)methylidene]-2-phenylimino-3-propyl-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(3-methoxyphenyl)methylidene]-2-phenylimino-3-propyl-1,3-thiazolidin-4-one is CCCN1C(=O)/C(=C/c2cccc(OC)c2)S/C1=N/c1ccccc1.
What is the InChIKey of (5Z)-5-[(3-methoxyphenyl)methylidene]-2-phenylimino-3-propyl-1,3-thiazolidin-4-one?
The InChIKey is DVRMHOZELYBCKX-RABLAQOOSA-N. The full InChI is InChI=1S/C20H20N2O2S/c1-3-12-22-19(23)18(14-15-8-7-11-17(13-15)24-2)25-20(22)21-16-9-5-4-6-10-16/h4-11,13-14H,3,12H2,1-2H3/b18-14-,21-20+.
What are the key properties of (5Z)-5-[(3-methoxyphenyl)methylidene]-2-phenylimino-3-propyl-1,3-thiazolidin-4-one?
(5Z)-5-[(3-methoxyphenyl)methylidene]-2-phenylimino-3-propyl-1,3-thiazolidin-4-one has a molecular weight of 352.46 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(3-methoxyphenyl)methylidene]-2-phenylimino-3-propyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 11667506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).