(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(2-ethoxyphenyl)imino-3-(2-morpholin-4-ylethyl)-1,3-thiazolidin-4-one

C26H32N4O3S — CID 6529977

IUPAC(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(2-ethoxyphenyl)imino-3-(2-morpholin-4-ylethyl)-1,3-thiazolidin-4-one
SMILESCCOc1ccccc1/N=C1/S/C(=C\c2ccc(N(C)C)cc2)C(=O)N1CCN1CCOCC1
InChIInChI=1S/C26H32N4O3S/c1-4-33-23-8-6-5-7-22(23)27-26-30(14-13-29-15-17-32-18-16-29)25(31)24(34-26)19-20-9-11-21(12-10-20)28(2)3/h5-12,19H,4,13-18H2,1-3H3/b24-19-,27-26+
InChIKeyJBSLJDKPSGDMOK-WZDJMGEGSA-N
MW480.63 g/mol
LogP4.09
Rot. Bonds8

About (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(2-ethoxyphenyl)imino-3-(2-morpholin-4-ylethyl)-1,3-thiazolidin-4-one

(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(2-ethoxyphenyl)imino-3-(2-morpholin-4-ylethyl)-1,3-thiazolidin-4-one (PubChem CID 6529977) has the molecular formula C26H32N4O3S and a molecular weight of 480.63 g/mol. Its IUPAC name is (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(2-ethoxyphenyl)imino-3-(2-morpholin-4-ylethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(2-ethoxyphenyl)imino-3-(2-morpholin-4-ylethyl)-1,3-thiazolidin-4-one
PubChem CID6529977
Molecular FormulaC26H32N4O3S
Molecular Weight480.63 g/mol
Exact Mass480.22
IUPAC Name(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(2-ethoxyphenyl)imino-3-(2-morpholin-4-ylethyl)-1,3-thiazolidin-4-one
SMILESCCOc1ccccc1/N=C1/S/C(=C\c2ccc(N(C)C)cc2)C(=O)N1CCN1CCOCC1
InChIInChI=1S/C26H32N4O3S/c1-4-33-23-8-6-5-7-22(23)27-26-30(14-13-29-15-17-32-18-16-29)25(31)24(34-26)19-20-9-11-21(12-10-20)28(2)3/h5-12,19H,4,13-18H2,1-3H3/b24-19-,27-26+
InChIKeyJBSLJDKPSGDMOK-WZDJMGEGSA-N
XLogP4.09
TPSA57.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.63
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5Z)-5-(4-methoxybenzylidene)-3-(2-methoxyphenyl)-2-(methylthio)-3,5-dihydro-4H-imidazol-4-one
CID 16193804
6-(4-(4-(4-(2-Methoxyphenyl)piperazin-1-yl)butoxy)phenyl)-5,6-dihydroimidazo[2,1-b]thiazole
CID 44589376
(2E,5Z)-5-[4-(dimethylamino)benzylidene]-2-[(4-ethoxyphenyl)imino]-3-ethyl-1,3-thiazolidin-4-one
CID 1809763
(Z,Z)-5-[4-(3-Hydroxy-propoxy)-benzylidene]-2-isopropylimino-3-phenylthiazolidin-4-one
CID 46237052
5-[[4-(Dimethylamino)phenyl]methylidene]-2-imino-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one
CID 3761879
2-((2-(indolin-1-yl)-2-oxoethyl)thio)-3-(2-methoxyphenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4(3H)-one
CID 4295876
5-[4-(Dimethylamino)benzylidene]-2-imino-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one
CID 5350597
N''-(5-{4-[4-((S)-2-Hydroxy-3-phenoxy-propylamino)-piperidin-1-yl]-benzylidene}-4-oxo-4,5-dihydro-thiazol-2-yl)-N,N-dimethyl-guanidine
CID 44386051
(Z,Z)-2-Isopropylimino-5-(4-methoxy-benzylidene)-3-phenyl-thiazolidin-4-one
CID 46236811
(Z,Z)-2-Isopropylimino-5-(3-methoxy-benzylidene)-3-phenyl-thiazolidin-4-one
CID 46236932
(Z,Z)-5-[4-(3-Dimethylamino-propoxy)-benzylidene]-2-isopropylimino-3-phenylthiazolidin-4-one
CID 46237178
3-[5-[4-(2-Ethoxyphenyl)piperazin-1-yl]pentyl]-6-phenylpyrimidin-4-one
CID 132547278

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(2-ethoxyphenyl)imino-3-(2-morpholin-4-ylethyl)-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(2-ethoxyphenyl)imino-3-(2-morpholin-4-ylethyl)-1,3-thiazolidin-4-one (CID 6529977) is (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(2-ethoxyphenyl)imino-3-(2-morpholin-4-ylethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(2-ethoxyphenyl)imino-3-(2-morpholin-4-ylethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(2-ethoxyphenyl)imino-3-(2-morpholin-4-ylethyl)-1,3-thiazolidin-4-one is CCOc1ccccc1/N=C1/S/C(=C\c2ccc(N(C)C)cc2)C(=O)N1CCN1CCOCC1.
What is the InChIKey of (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(2-ethoxyphenyl)imino-3-(2-morpholin-4-ylethyl)-1,3-thiazolidin-4-one?
The InChIKey is JBSLJDKPSGDMOK-WZDJMGEGSA-N. The full InChI is InChI=1S/C26H32N4O3S/c1-4-33-23-8-6-5-7-22(23)27-26-30(14-13-29-15-17-32-18-16-29)25(31)24(34-26)19-20-9-11-21(12-10-20)28(2)3/h5-12,19H,4,13-18H2,1-3H3/b24-19-,27-26+.
What are the key properties of (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(2-ethoxyphenyl)imino-3-(2-morpholin-4-ylethyl)-1,3-thiazolidin-4-one?
(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(2-ethoxyphenyl)imino-3-(2-morpholin-4-ylethyl)-1,3-thiazolidin-4-one has a molecular weight of 480.63 g/mol, XLogP of 4.09, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-2-(2-ethoxyphenyl)imino-3-(2-morpholin-4-ylethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 6529977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).