(5Z)-5-[[4-(4-chlorophenyl)sulfanylphenyl]methylidene]-3-(2-ethoxyethyl)-2-phenylimino-1,3-thiazolidin-4-one

C26H23ClN2O2S2 — CID 126103499

IUPAC(5Z)-5-[[4-(4-chlorophenyl)sulfanylphenyl]methylidene]-3-(2-ethoxyethyl)-2-phenylimino-1,3-thiazolidin-4-one
SMILESCCOCCN1C(=O)/C(=C/c2ccc(Sc3ccc(Cl)cc3)cc2)S/C1=N/c1ccccc1
InChIInChI=1S/C26H23ClN2O2S2/c1-2-31-17-16-29-25(30)24(33-26(29)28-21-6-4-3-5-7-21)18-19-8-12-22(13-9-19)32-23-14-10-20(27)11-15-23/h3-15,18H,2,16-17H2,1H3/b24-18-,28-26+
InChIKeyFYCNFCKECQCOTO-UHXJNLQPSA-N
MW495.07 g/mol
LogP7.13
Rot. Bonds8

About (5Z)-5-[[4-(4-chlorophenyl)sulfanylphenyl]methylidene]-3-(2-ethoxyethyl)-2-phenylimino-1,3-thiazolidin-4-one

(5Z)-5-[[4-(4-chlorophenyl)sulfanylphenyl]methylidene]-3-(2-ethoxyethyl)-2-phenylimino-1,3-thiazolidin-4-one (PubChem CID 126103499) has the molecular formula C26H23ClN2O2S2 and a molecular weight of 495.07 g/mol. Its IUPAC name is (5Z)-5-[[4-(4-chlorophenyl)sulfanylphenyl]methylidene]-3-(2-ethoxyethyl)-2-phenylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[[4-(4-chlorophenyl)sulfanylphenyl]methylidene]-3-(2-ethoxyethyl)-2-phenylimino-1,3-thiazolidin-4-one
PubChem CID126103499
Molecular FormulaC26H23ClN2O2S2
Molecular Weight495.07 g/mol
Exact Mass494.09
IUPAC Name(5Z)-5-[[4-(4-chlorophenyl)sulfanylphenyl]methylidene]-3-(2-ethoxyethyl)-2-phenylimino-1,3-thiazolidin-4-one
SMILESCCOCCN1C(=O)/C(=C/c2ccc(Sc3ccc(Cl)cc3)cc2)S/C1=N/c1ccccc1
InChIInChI=1S/C26H23ClN2O2S2/c1-2-31-17-16-29-25(30)24(33-26(29)28-21-6-4-3-5-7-21)18-19-8-12-22(13-9-19)32-23-14-10-20(27)11-15-23/h3-15,18H,2,16-17H2,1H3/b24-18-,28-26+
InChIKeyFYCNFCKECQCOTO-UHXJNLQPSA-N
XLogP7.13
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.07
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-(4-chlorophenyl)sulfanylphenyl]methylidene]-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazolidin-4-one
CID 126113040
(5Z)-3-(2-methoxyethyl)-5-[[4-(4-methylphenyl)sulfanylphenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 126235077
(5E)-3-(2-ethoxyethyl)-5-[(1-methylpyrrol-3-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 50853547
3-(2-methoxyethyl)-5-[(4-methylsulfanylphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 4179195
(5E)-5-[(4-methylsulfanylphenyl)methylidene]-2-phenylimino-3-propyl-1,3-thiazolidin-4-one
CID 9485026
methyl 2-[4-[[3-(2-ethoxyethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetate
CID 4207830
(5E)-5-[[4-(4-chlorophenyl)sulfanylphenyl]methylidene]-3-(oxolan-2-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one
CID 6370947
(5Z)-3-(2-ethoxyethyl)-5-[(5-methyl-1-phenylpyrrol-2-yl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 50856293
5-[(4-chlorophenyl)methylidene]-2-(4-methylphenyl)imino-3-propyl-1,3-thiazolidin-4-one
CID 3690656
5-[(4-hydroxyphenyl)methylidene]-3-(2-methoxyethyl)-2-phenylimino-1,3-thiazolidin-4-one
CID 3947839
methyl 2-[2-chloro-4-[[3-(2-ethoxyethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene]methyl]-6-methoxyphenoxy]acetate
CID 73380730
(5Z)-5-[[4-(hydroxymethyl)phenyl]methylidene]-2-phenylimino-3-propyl-1,3-thiazolidin-4-one
CID 144967472

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[4-(4-chlorophenyl)sulfanylphenyl]methylidene]-3-(2-ethoxyethyl)-2-phenylimino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[[4-(4-chlorophenyl)sulfanylphenyl]methylidene]-3-(2-ethoxyethyl)-2-phenylimino-1,3-thiazolidin-4-one (CID 126103499) is (5Z)-5-[[4-(4-chlorophenyl)sulfanylphenyl]methylidene]-3-(2-ethoxyethyl)-2-phenylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[[4-(4-chlorophenyl)sulfanylphenyl]methylidene]-3-(2-ethoxyethyl)-2-phenylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[[4-(4-chlorophenyl)sulfanylphenyl]methylidene]-3-(2-ethoxyethyl)-2-phenylimino-1,3-thiazolidin-4-one is CCOCCN1C(=O)/C(=C/c2ccc(Sc3ccc(Cl)cc3)cc2)S/C1=N/c1ccccc1.
What is the InChIKey of (5Z)-5-[[4-(4-chlorophenyl)sulfanylphenyl]methylidene]-3-(2-ethoxyethyl)-2-phenylimino-1,3-thiazolidin-4-one?
The InChIKey is FYCNFCKECQCOTO-UHXJNLQPSA-N. The full InChI is InChI=1S/C26H23ClN2O2S2/c1-2-31-17-16-29-25(30)24(33-26(29)28-21-6-4-3-5-7-21)18-19-8-12-22(13-9-19)32-23-14-10-20(27)11-15-23/h3-15,18H,2,16-17H2,1H3/b24-18-,28-26+.
What are the key properties of (5Z)-5-[[4-(4-chlorophenyl)sulfanylphenyl]methylidene]-3-(2-ethoxyethyl)-2-phenylimino-1,3-thiazolidin-4-one?
(5Z)-5-[[4-(4-chlorophenyl)sulfanylphenyl]methylidene]-3-(2-ethoxyethyl)-2-phenylimino-1,3-thiazolidin-4-one has a molecular weight of 495.07 g/mol, XLogP of 7.13, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[4-(4-chlorophenyl)sulfanylphenyl]methylidene]-3-(2-ethoxyethyl)-2-phenylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 126103499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).