(5Z)-2-(4-chlorophenyl)imino-5-[[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-3-(2-methylpropyl)-1,3-thiazolidin-4-one

C25H19Cl2F3N2O2S — CID 126097609

IUPAC(5Z)-2-(4-chlorophenyl)imino-5-[[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-3-(2-methylpropyl)-1,3-thiazolidin-4-one
SMILESCC(C)CN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)S/C1=N/c1ccc(Cl)cc1
InChIInChI=1S/C25H19Cl2F3N2O2S/c1-14(2)13-32-23(33)22(35-24(32)31-17-6-4-16(26)5-7-17)12-18-8-10-21(34-18)15-3-9-20(27)19(11-15)25(28,29)30/h3-12,14H,13H2,1-2H3/b22-12-,31-24+
InChIKeySDGJXIRTFJCTMB-LEDLZAOWSA-N
MW539.41 g/mol
LogP8.53
Rot. Bonds5

About (5Z)-2-(4-chlorophenyl)imino-5-[[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-3-(2-methylpropyl)-1,3-thiazolidin-4-one

(5Z)-2-(4-chlorophenyl)imino-5-[[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-3-(2-methylpropyl)-1,3-thiazolidin-4-one (PubChem CID 126097609) has the molecular formula C25H19Cl2F3N2O2S and a molecular weight of 539.41 g/mol. Its IUPAC name is (5Z)-2-(4-chlorophenyl)imino-5-[[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-3-(2-methylpropyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-(4-chlorophenyl)imino-5-[[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-3-(2-methylpropyl)-1,3-thiazolidin-4-one
PubChem CID126097609
Molecular FormulaC25H19Cl2F3N2O2S
Molecular Weight539.41 g/mol
Exact Mass538.05
IUPAC Name(5Z)-2-(4-chlorophenyl)imino-5-[[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-3-(2-methylpropyl)-1,3-thiazolidin-4-one
SMILESCC(C)CN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)S/C1=N/c1ccc(Cl)cc1
InChIInChI=1S/C25H19Cl2F3N2O2S/c1-14(2)13-32-23(33)22(35-24(32)31-17-6-4-16(26)5-7-17)12-18-8-10-21(34-18)15-3-9-20(27)19(11-15)25(28,29)30/h3-12,14H,13H2,1-2H3/b22-12-,31-24+
InChIKeySDGJXIRTFJCTMB-LEDLZAOWSA-N
XLogP8.53
TPSA45.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.41
LogP ≤ 58.53
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)-2-(4-chlorophenyl)imino-3-propyl-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 126092789
5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3858183
(5Z)-5-[[5-(3,5-dichlorophenyl)furan-2-yl]methylidene]-2-(4-methylphenyl)imino-3-prop-2-enyl-1,3-thiazolidin-4-one
CID 18806990
propan-2-yl 3-[5-[(E)-[3-(2-methylpropyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoate
CID 126158007
6-[(5Z)-5-[[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
CID 11432094
2-chloro-5-[5-[(E)-[3-(2-methoxyethyl)-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoic acid
CID 42626085
(5Z)-5-[[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-3-[[(2R)-oxolan-2-yl]methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 126091515
(5E)-5-[(2,4-dichlorophenyl)methylidene]-3-(2-methylpropyl)-2-phenylimino-1,3-thiazolidin-4-one
CID 8990753
4-[[5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 4765807
5-[5-[(E)-[2-(4-bromo-3-chlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]-2-chlorobenzoic acid
CID 126027342
(5E)-2-(3-chlorophenyl)imino-5-(furan-2-ylmethylidene)-3-(2-methylpropyl)-1,3-thiazolidin-4-one
CID 9486584
2-[4-chloro-3-(trifluoromethyl)phenyl]imino-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 135487149

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-(4-chlorophenyl)imino-5-[[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-3-(2-methylpropyl)-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-(4-chlorophenyl)imino-5-[[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-3-(2-methylpropyl)-1,3-thiazolidin-4-one (CID 126097609) is (5Z)-2-(4-chlorophenyl)imino-5-[[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-3-(2-methylpropyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-(4-chlorophenyl)imino-5-[[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-3-(2-methylpropyl)-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-(4-chlorophenyl)imino-5-[[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-3-(2-methylpropyl)-1,3-thiazolidin-4-one is CC(C)CN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)S/C1=N/c1ccc(Cl)cc1.
What is the InChIKey of (5Z)-2-(4-chlorophenyl)imino-5-[[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-3-(2-methylpropyl)-1,3-thiazolidin-4-one?
The InChIKey is SDGJXIRTFJCTMB-LEDLZAOWSA-N. The full InChI is InChI=1S/C25H19Cl2F3N2O2S/c1-14(2)13-32-23(33)22(35-24(32)31-17-6-4-16(26)5-7-17)12-18-8-10-21(34-18)15-3-9-20(27)19(11-15)25(28,29)30/h3-12,14H,13H2,1-2H3/b22-12-,31-24+.
What are the key properties of (5Z)-2-(4-chlorophenyl)imino-5-[[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-3-(2-methylpropyl)-1,3-thiazolidin-4-one?
(5Z)-2-(4-chlorophenyl)imino-5-[[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-3-(2-methylpropyl)-1,3-thiazolidin-4-one has a molecular weight of 539.41 g/mol, XLogP of 8.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-(4-chlorophenyl)imino-5-[[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-3-(2-methylpropyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 126097609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).