(2Z,5Z)-5-[(2,6-dichlorophenyl)methylidene]-2-[2-(furan-2-yl)-2-oxoethylidene]-3-methyl-1,3-thiazolidin-4-one

C17H11Cl2NO3S — CID 47022586

IUPAC(2Z,5Z)-5-[(2,6-dichlorophenyl)methylidene]-2-[2-(furan-2-yl)-2-oxoethylidene]-3-methyl-1,3-thiazolidin-4-one
SMILESCn1c(=O)/c(=C/c2c(Cl)cccc2Cl)s/c1=C\C(=O)c1ccco1
InChIInChI=1S/C17H11Cl2NO3S/c1-20-16(9-13(21)14-6-3-7-23-14)24-15(17(20)22)8-10-11(18)4-2-5-12(10)19/h2-9H,1H3/b15-8-,16-9-
InChIKeyFSCZXOJZCCKKMQ-SRKDFGFSSA-N
MW380.25 g/mol
LogP2.84
Rot. Bonds3

About (2Z,5Z)-5-[(2,6-dichlorophenyl)methylidene]-2-[2-(furan-2-yl)-2-oxoethylidene]-3-methyl-1,3-thiazolidin-4-one

(2Z,5Z)-5-[(2,6-dichlorophenyl)methylidene]-2-[2-(furan-2-yl)-2-oxoethylidene]-3-methyl-1,3-thiazolidin-4-one (PubChem CID 47022586) has the molecular formula C17H11Cl2NO3S and a molecular weight of 380.25 g/mol. Its IUPAC name is (2Z,5Z)-5-[(2,6-dichlorophenyl)methylidene]-2-[2-(furan-2-yl)-2-oxoethylidene]-3-methyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z,5Z)-5-[(2,6-dichlorophenyl)methylidene]-2-[2-(furan-2-yl)-2-oxoethylidene]-3-methyl-1,3-thiazolidin-4-one
PubChem CID47022586
Molecular FormulaC17H11Cl2NO3S
Molecular Weight380.25 g/mol
Exact Mass378.98
IUPAC Name(2Z,5Z)-5-[(2,6-dichlorophenyl)methylidene]-2-[2-(furan-2-yl)-2-oxoethylidene]-3-methyl-1,3-thiazolidin-4-one
SMILESCn1c(=O)/c(=C/c2c(Cl)cccc2Cl)s/c1=C\C(=O)c1ccco1
InChIInChI=1S/C17H11Cl2NO3S/c1-20-16(9-13(21)14-6-3-7-23-14)24-15(17(20)22)8-10-11(18)4-2-5-12(10)19/h2-9H,1H3/b15-8-,16-9-
InChIKeyFSCZXOJZCCKKMQ-SRKDFGFSSA-N
XLogP2.84
TPSA52.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.25
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2Z,5E)-5-[(2-chlorophenyl)methylidene]-2-[2-(4-chlorophenyl)-2-oxoethylidene]-3-methyl-1,3-thiazolidin-4-one
CID 8831545
N-butan-2-yl-2-[5-[(4-fluorophenyl)methylidene]-2-[2-(furan-2-yl)-2-oxoethylidene]-4-oxo-1,3-thiazolidin-3-yl]acetamide
CID 4963554
(2Z,5E)-5-[(3-chlorophenyl)methylidene]-3-methyl-2-(2-oxo-2-thiophen-2-ylethylidene)-1,3-thiazolidin-4-one
CID 8831442
2-[(2Z,5E)-2-[2-(furan-2-yl)-2-oxoethylidene]-4-oxo-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-3-yl]-N-(2-methylpropyl)acetamide
CID 8810937
2-[(2Z,5E)-2-[2-(furan-2-yl)-2-oxoethylidene]-4-oxo-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N-propylacetamide
CID 8810941
(2Z,5E)-5-[[5-(2-chlorophenyl)thiophen-2-yl]methylidene]-2-(3,3-dimethyl-2-oxobutylidene)-3-methyl-1,3-thiazolidin-4-one
CID 24656224
(2Z,5Z)-5-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-2-[2-(furan-2-yl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 8830914
(2Z,5Z)-5-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methylidene]-2-[2-(furan-2-yl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 9034839
(2Z,5Z)-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-3-methyl-2-(2-oxo-2-thiophen-2-ylethylidene)-1,3-thiazolidin-4-one
CID 8831524
5-[(4-tert-butylphenyl)methylidene]-2-[2-(furan-2-yl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 4827606
(2Z,5Z)-2-[2-(furan-2-yl)-2-oxoethylidene]-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 8830911
(2Z,5Z)-3-methyl-2-[2-(2-methylphenyl)-2-oxoethylidene]-5-[(4-morpholin-4-ylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 8685322

Frequently Asked Questions

What is the IUPAC name of (2Z,5Z)-5-[(2,6-dichlorophenyl)methylidene]-2-[2-(furan-2-yl)-2-oxoethylidene]-3-methyl-1,3-thiazolidin-4-one?
The IUPAC name of (2Z,5Z)-5-[(2,6-dichlorophenyl)methylidene]-2-[2-(furan-2-yl)-2-oxoethylidene]-3-methyl-1,3-thiazolidin-4-one (CID 47022586) is (2Z,5Z)-5-[(2,6-dichlorophenyl)methylidene]-2-[2-(furan-2-yl)-2-oxoethylidene]-3-methyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z,5Z)-5-[(2,6-dichlorophenyl)methylidene]-2-[2-(furan-2-yl)-2-oxoethylidene]-3-methyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z,5Z)-5-[(2,6-dichlorophenyl)methylidene]-2-[2-(furan-2-yl)-2-oxoethylidene]-3-methyl-1,3-thiazolidin-4-one is Cn1c(=O)/c(=C/c2c(Cl)cccc2Cl)s/c1=C\C(=O)c1ccco1.
What is the InChIKey of (2Z,5Z)-5-[(2,6-dichlorophenyl)methylidene]-2-[2-(furan-2-yl)-2-oxoethylidene]-3-methyl-1,3-thiazolidin-4-one?
The InChIKey is FSCZXOJZCCKKMQ-SRKDFGFSSA-N. The full InChI is InChI=1S/C17H11Cl2NO3S/c1-20-16(9-13(21)14-6-3-7-23-14)24-15(17(20)22)8-10-11(18)4-2-5-12(10)19/h2-9H,1H3/b15-8-,16-9-.
What are the key properties of (2Z,5Z)-5-[(2,6-dichlorophenyl)methylidene]-2-[2-(furan-2-yl)-2-oxoethylidene]-3-methyl-1,3-thiazolidin-4-one?
(2Z,5Z)-5-[(2,6-dichlorophenyl)methylidene]-2-[2-(furan-2-yl)-2-oxoethylidene]-3-methyl-1,3-thiazolidin-4-one has a molecular weight of 380.25 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5Z)-5-[(2,6-dichlorophenyl)methylidene]-2-[2-(furan-2-yl)-2-oxoethylidene]-3-methyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 47022586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).