(5Z)-5-[(5-phenylfuran-2-yl)methylidene]-3-(3-phenylpropyl)-2-(3-phenylpropylimino)-1,3-thiazolidin-4-one

C32H30N2O2S — CID 135024367

IUPAC(5Z)-5-[(5-phenylfuran-2-yl)methylidene]-3-(3-phenylpropyl)-2-(3-phenylpropylimino)-1,3-thiazolidin-4-one
SMILESO=C1/C(=C/c2ccc(-c3ccccc3)o2)S/C(=N\CCCc2ccccc2)N1CCCc1ccccc1
InChIInChI=1S/C32H30N2O2S/c35-31-30(24-28-20-21-29(36-28)27-18-8-3-9-19-27)37-32(33-22-10-16-25-12-4-1-5-13-25)34(31)23-11-17-26-14-6-2-7-15-26/h1-9,12-15,18-21,24H,10-11,16-17,22-23H2/b30-24-,33-32-
InChIKeyDAKQFISIRIBFIV-FSVJXVEZSA-N
MW506.67 g/mol
LogP7.48
Rot. Bonds10

About (5Z)-5-[(5-phenylfuran-2-yl)methylidene]-3-(3-phenylpropyl)-2-(3-phenylpropylimino)-1,3-thiazolidin-4-one

(5Z)-5-[(5-phenylfuran-2-yl)methylidene]-3-(3-phenylpropyl)-2-(3-phenylpropylimino)-1,3-thiazolidin-4-one (PubChem CID 135024367) has the molecular formula C32H30N2O2S and a molecular weight of 506.67 g/mol. Its IUPAC name is (5Z)-5-[(5-phenylfuran-2-yl)methylidene]-3-(3-phenylpropyl)-2-(3-phenylpropylimino)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(5-phenylfuran-2-yl)methylidene]-3-(3-phenylpropyl)-2-(3-phenylpropylimino)-1,3-thiazolidin-4-one
PubChem CID135024367
Molecular FormulaC32H30N2O2S
Molecular Weight506.67 g/mol
Exact Mass506.20
IUPAC Name(5Z)-5-[(5-phenylfuran-2-yl)methylidene]-3-(3-phenylpropyl)-2-(3-phenylpropylimino)-1,3-thiazolidin-4-one
SMILESO=C1/C(=C/c2ccc(-c3ccccc3)o2)S/C(=N\CCCc2ccccc2)N1CCCc1ccccc1
InChIInChI=1S/C32H30N2O2S/c35-31-30(24-28-20-21-29(36-28)27-18-8-3-9-19-27)37-32(33-22-10-16-25-12-4-1-5-13-25)34(31)23-11-17-26-14-6-2-7-15-26/h1-9,12-15,18-21,24H,10-11,16-17,22-23H2/b30-24-,33-32-
InChIKeyDAKQFISIRIBFIV-FSVJXVEZSA-N
XLogP7.48
TPSA45.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.67
LogP ≤ 57.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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)-3-benzyl-2-benzylimino-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 21207022
3-(3-hydroxypropyl)-5-[(5-phenylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 75114437
(5E)-5-[(5-methylfuran-2-yl)methylidene]-3-(3-phenylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1317953
(5E)-3-butyl-2-butylimino-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 6137227
(5E)-3-ethyl-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2187903
(5E)-3-(3-phenylpropyl)-5-[(5-phenylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 126149900
4-[5-[(Z)-[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoic acid
CID 11719044
(5Z)-5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-3-(3-phenylpropyl)-1,3-thiazolidine-2,4-dione
CID 126132921
ethyl 4-[5-[(E)-(3-benzyl-2-benzylimino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzoate
CID 17389054
(5Z)-3-[(3-bromophenyl)methyl]-5-[(5-phenylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 126162836
N,N-dimethyl-4-[5-[(Z)-[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzamide
CID 176596901
(5E)-5-[[5-(4-acetylphenyl)furan-2-yl]methylidene]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 143248385

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(5-phenylfuran-2-yl)methylidene]-3-(3-phenylpropyl)-2-(3-phenylpropylimino)-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(5-phenylfuran-2-yl)methylidene]-3-(3-phenylpropyl)-2-(3-phenylpropylimino)-1,3-thiazolidin-4-one (CID 135024367) is (5Z)-5-[(5-phenylfuran-2-yl)methylidene]-3-(3-phenylpropyl)-2-(3-phenylpropylimino)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(5-phenylfuran-2-yl)methylidene]-3-(3-phenylpropyl)-2-(3-phenylpropylimino)-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(5-phenylfuran-2-yl)methylidene]-3-(3-phenylpropyl)-2-(3-phenylpropylimino)-1,3-thiazolidin-4-one is O=C1/C(=C/c2ccc(-c3ccccc3)o2)S/C(=N\CCCc2ccccc2)N1CCCc1ccccc1.
What is the InChIKey of (5Z)-5-[(5-phenylfuran-2-yl)methylidene]-3-(3-phenylpropyl)-2-(3-phenylpropylimino)-1,3-thiazolidin-4-one?
The InChIKey is DAKQFISIRIBFIV-FSVJXVEZSA-N. The full InChI is InChI=1S/C32H30N2O2S/c35-31-30(24-28-20-21-29(36-28)27-18-8-3-9-19-27)37-32(33-22-10-16-25-12-4-1-5-13-25)34(31)23-11-17-26-14-6-2-7-15-26/h1-9,12-15,18-21,24H,10-11,16-17,22-23H2/b30-24-,33-32-.
What are the key properties of (5Z)-5-[(5-phenylfuran-2-yl)methylidene]-3-(3-phenylpropyl)-2-(3-phenylpropylimino)-1,3-thiazolidin-4-one?
(5Z)-5-[(5-phenylfuran-2-yl)methylidene]-3-(3-phenylpropyl)-2-(3-phenylpropylimino)-1,3-thiazolidin-4-one has a molecular weight of 506.67 g/mol, XLogP of 7.48, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(5-phenylfuran-2-yl)methylidene]-3-(3-phenylpropyl)-2-(3-phenylpropylimino)-1,3-thiazolidin-4-one is sourced from PubChem (CID 135024367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).