(2Z,5Z)-2-[2-(4-chlorophenyl)-2-oxoethylidene]-5-[[2-(difluoromethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one

C19H12ClF2NO3S — CID 7945943

IUPAC(2Z,5Z)-2-[2-(4-chlorophenyl)-2-oxoethylidene]-5-[[2-(difluoromethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one
SMILESO=C(/C=c1/[nH]c(=O)/c(=C/c2ccccc2OC(F)F)s1)c1ccc(Cl)cc1
InChIInChI=1S/C19H12ClF2NO3S/c20-13-7-5-11(6-8-13)14(24)10-17-23-18(25)16(27-17)9-12-3-1-2-4-15(12)26-19(21)22/h1-10,19H,(H,23,25)/b16-9-,17-10-
InChIKeyGDELCUUCJBEDJN-CQRYCMKKSA-N
MW407.83 g/mol
LogP3.18
Rot. Bonds5

About (2Z,5Z)-2-[2-(4-chlorophenyl)-2-oxoethylidene]-5-[[2-(difluoromethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one

(2Z,5Z)-2-[2-(4-chlorophenyl)-2-oxoethylidene]-5-[[2-(difluoromethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one (PubChem CID 7945943) has the molecular formula C19H12ClF2NO3S and a molecular weight of 407.83 g/mol. Its IUPAC name is (2Z,5Z)-2-[2-(4-chlorophenyl)-2-oxoethylidene]-5-[[2-(difluoromethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z,5Z)-2-[2-(4-chlorophenyl)-2-oxoethylidene]-5-[[2-(difluoromethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one
PubChem CID7945943
Molecular FormulaC19H12ClF2NO3S
Molecular Weight407.83 g/mol
Exact Mass407.02
IUPAC Name(2Z,5Z)-2-[2-(4-chlorophenyl)-2-oxoethylidene]-5-[[2-(difluoromethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one
SMILESO=C(/C=c1/[nH]c(=O)/c(=C/c2ccccc2OC(F)F)s1)c1ccc(Cl)cc1
InChIInChI=1S/C19H12ClF2NO3S/c20-13-7-5-11(6-8-13)14(24)10-17-23-18(25)16(27-17)9-12-3-1-2-4-15(12)26-19(21)22/h1-10,19H,(H,23,25)/b16-9-,17-10-
InChIKeyGDELCUUCJBEDJN-CQRYCMKKSA-N
XLogP3.18
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.83
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2Z,5Z)-2-[2-(4-chlorophenyl)-2-oxoethylidene]-5-[[2-(difluoromethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z,5Z)-2-[2-(4-chlorophenyl)-2-oxoethylidene]-5-[[2-(difluoromethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one (CID 7945943) is (2Z,5Z)-2-[2-(4-chlorophenyl)-2-oxoethylidene]-5-[[2-(difluoromethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z,5Z)-2-[2-(4-chlorophenyl)-2-oxoethylidene]-5-[[2-(difluoromethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z,5Z)-2-[2-(4-chlorophenyl)-2-oxoethylidene]-5-[[2-(difluoromethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one is O=C(/C=c1/[nH]c(=O)/c(=C/c2ccccc2OC(F)F)s1)c1ccc(Cl)cc1.
What is the InChIKey of (2Z,5Z)-2-[2-(4-chlorophenyl)-2-oxoethylidene]-5-[[2-(difluoromethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one?
The InChIKey is GDELCUUCJBEDJN-CQRYCMKKSA-N. The full InChI is InChI=1S/C19H12ClF2NO3S/c20-13-7-5-11(6-8-13)14(24)10-17-23-18(25)16(27-17)9-12-3-1-2-4-15(12)26-19(21)22/h1-10,19H,(H,23,25)/b16-9-,17-10-.
What are the key properties of (2Z,5Z)-2-[2-(4-chlorophenyl)-2-oxoethylidene]-5-[[2-(difluoromethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one?
(2Z,5Z)-2-[2-(4-chlorophenyl)-2-oxoethylidene]-5-[[2-(difluoromethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one has a molecular weight of 407.83 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5Z)-2-[2-(4-chlorophenyl)-2-oxoethylidene]-5-[[2-(difluoromethoxy)phenyl]methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 7945943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).