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

C31H25ClN2OS2 — CID 126113040

IUPAC(5Z)-5-[[4-(4-chlorophenyl)sulfanylphenyl]methylidene]-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazolidin-4-one
SMILESO=C1/C(=C/c2ccc(Sc3ccc(Cl)cc3)cc2)S/C(=N/c2ccccc2)N1CCCc1ccccc1
InChIInChI=1S/C31H25ClN2OS2/c32-25-15-19-28(20-16-25)36-27-17-13-24(14-18-27)22-29-30(35)34(21-7-10-23-8-3-1-4-9-23)31(37-29)33-26-11-5-2-6-12-26/h1-6,8-9,11-20,22H,7,10,21H2/b29-22-,33-31+
InChIKeySVWNBGNQWKDZHA-KIMGWWJUSA-N
MW541.14 g/mol
LogP8.73
Rot. Bonds8

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

(5Z)-5-[[4-(4-chlorophenyl)sulfanylphenyl]methylidene]-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazolidin-4-one (PubChem CID 126113040) has the molecular formula C31H25ClN2OS2 and a molecular weight of 541.14 g/mol. Its IUPAC name is (5Z)-5-[[4-(4-chlorophenyl)sulfanylphenyl]methylidene]-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[[4-(4-chlorophenyl)sulfanylphenyl]methylidene]-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazolidin-4-one
PubChem CID126113040
Molecular FormulaC31H25ClN2OS2
Molecular Weight541.14 g/mol
Exact Mass540.11
IUPAC Name(5Z)-5-[[4-(4-chlorophenyl)sulfanylphenyl]methylidene]-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazolidin-4-one
SMILESO=C1/C(=C/c2ccc(Sc3ccc(Cl)cc3)cc2)S/C(=N/c2ccccc2)N1CCCc1ccccc1
InChIInChI=1S/C31H25ClN2OS2/c32-25-15-19-28(20-16-25)36-27-17-13-24(14-18-27)22-29-30(35)34(21-7-10-23-8-3-1-4-9-23)31(37-29)33-26-11-5-2-6-12-26/h1-6,8-9,11-20,22H,7,10,21H2/b29-22-,33-31+
InChIKeySVWNBGNQWKDZHA-KIMGWWJUSA-N
XLogP8.73
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.14
LogP ≤ 58.73
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

(5Z)-5-[[4-(4-chlorophenyl)sulfanylphenyl]methylidene]-3-(2-ethoxyethyl)-2-phenylimino-1,3-thiazolidin-4-one
CID 126103499
(5E)-5-[[4-(4-chlorophenyl)sulfanylphenyl]methylidene]-3-(oxolan-2-ylmethyl)-2-phenylimino-1,3-thiazolidin-4-one
CID 6370947
(5E)-5-[(4-methylsulfanylphenyl)methylidene]-2-phenylimino-3-propyl-1,3-thiazolidin-4-one
CID 9485026
(5Z)-3-(2-methoxyethyl)-5-[[4-(4-methylphenyl)sulfanylphenyl]methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 126235077
3-(2-methoxyethyl)-5-[(4-methylsulfanylphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 4179195
(5Z)-5-benzylidene-3-hexadecyl-2-phenylimino-1,3-thiazolidin-4-one
CID 6283091
5-[(4-chlorophenyl)methylidene]-2-(4-methylphenyl)imino-3-propyl-1,3-thiazolidin-4-one
CID 3690656
4-[(3-benzyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]benzoic acid
CID 5018189
(5Z)-5-[[4-(hydroxymethyl)phenyl]methylidene]-2-phenylimino-3-propyl-1,3-thiazolidin-4-one
CID 144967472
4-[(E)-[2-(4-methylphenyl)imino-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-5-ylidene]methyl]benzoic acid
CID 6373327
5-[(4-bromophenyl)methylidene]-3-[2-(4-chlorophenyl)ethyl]-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one
CID 5004663
(5E)-5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimino-3-propyl-1,3-thiazolidin-4-one
CID 6367517

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[4-(4-chlorophenyl)sulfanylphenyl]methylidene]-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[[4-(4-chlorophenyl)sulfanylphenyl]methylidene]-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazolidin-4-one (CID 126113040) is (5Z)-5-[[4-(4-chlorophenyl)sulfanylphenyl]methylidene]-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[[4-(4-chlorophenyl)sulfanylphenyl]methylidene]-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[[4-(4-chlorophenyl)sulfanylphenyl]methylidene]-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazolidin-4-one is O=C1/C(=C/c2ccc(Sc3ccc(Cl)cc3)cc2)S/C(=N/c2ccccc2)N1CCCc1ccccc1.
What is the InChIKey of (5Z)-5-[[4-(4-chlorophenyl)sulfanylphenyl]methylidene]-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazolidin-4-one?
The InChIKey is SVWNBGNQWKDZHA-KIMGWWJUSA-N. The full InChI is InChI=1S/C31H25ClN2OS2/c32-25-15-19-28(20-16-25)36-27-17-13-24(14-18-27)22-29-30(35)34(21-7-10-23-8-3-1-4-9-23)31(37-29)33-26-11-5-2-6-12-26/h1-6,8-9,11-20,22H,7,10,21H2/b29-22-,33-31+.
What are the key properties of (5Z)-5-[[4-(4-chlorophenyl)sulfanylphenyl]methylidene]-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazolidin-4-one?
(5Z)-5-[[4-(4-chlorophenyl)sulfanylphenyl]methylidene]-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazolidin-4-one has a molecular weight of 541.14 g/mol, XLogP of 8.73, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[4-(4-chlorophenyl)sulfanylphenyl]methylidene]-2-phenylimino-3-(3-phenylpropyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 126113040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).