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

C19H13ClFNO3S — CID 9037137

IUPAC(2Z,5Z)-2-[2-(4-chlorophenyl)-2-oxoethylidene]-5-[(3-fluoro-4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCOc1ccc(/C=c2\s/c(=C\C(=O)c3ccc(Cl)cc3)[nH]c2=O)cc1F
InChIInChI=1S/C19H13ClFNO3S/c1-25-16-7-2-11(8-14(16)21)9-17-19(24)22-18(26-17)10-15(23)12-3-5-13(20)6-4-12/h2-10H,1H3,(H,22,24)/b17-9-,18-10-
InChIKeyIXECEQPAGMIDEC-XFQWXJFMSA-N
MW389.84 g/mol
LogP2.73
Rot. Bonds4

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

(2Z,5Z)-2-[2-(4-chlorophenyl)-2-oxoethylidene]-5-[(3-fluoro-4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 9037137) has the molecular formula C19H13ClFNO3S and a molecular weight of 389.84 g/mol. Its IUPAC name is (2Z,5Z)-2-[2-(4-chlorophenyl)-2-oxoethylidene]-5-[(3-fluoro-4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z,5Z)-2-[2-(4-chlorophenyl)-2-oxoethylidene]-5-[(3-fluoro-4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID9037137
Molecular FormulaC19H13ClFNO3S
Molecular Weight389.84 g/mol
Exact Mass389.03
IUPAC Name(2Z,5Z)-2-[2-(4-chlorophenyl)-2-oxoethylidene]-5-[(3-fluoro-4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCOc1ccc(/C=c2\s/c(=C\C(=O)c3ccc(Cl)cc3)[nH]c2=O)cc1F
InChIInChI=1S/C19H13ClFNO3S/c1-25-16-7-2-11(8-14(16)21)9-17-19(24)22-18(26-17)10-15(23)12-3-5-13(20)6-4-12/h2-10H,1H3,(H,22,24)/b17-9-,18-10-
InChIKeyIXECEQPAGMIDEC-XFQWXJFMSA-N
XLogP2.73
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.84
LogP ≤ 52.73
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-[(3-fluoro-4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z,5Z)-2-[2-(4-chlorophenyl)-2-oxoethylidene]-5-[(3-fluoro-4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one (CID 9037137) is (2Z,5Z)-2-[2-(4-chlorophenyl)-2-oxoethylidene]-5-[(3-fluoro-4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z,5Z)-2-[2-(4-chlorophenyl)-2-oxoethylidene]-5-[(3-fluoro-4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z,5Z)-2-[2-(4-chlorophenyl)-2-oxoethylidene]-5-[(3-fluoro-4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one is COc1ccc(/C=c2\s/c(=C\C(=O)c3ccc(Cl)cc3)[nH]c2=O)cc1F.
What is the InChIKey of (2Z,5Z)-2-[2-(4-chlorophenyl)-2-oxoethylidene]-5-[(3-fluoro-4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is IXECEQPAGMIDEC-XFQWXJFMSA-N. The full InChI is InChI=1S/C19H13ClFNO3S/c1-25-16-7-2-11(8-14(16)21)9-17-19(24)22-18(26-17)10-15(23)12-3-5-13(20)6-4-12/h2-10H,1H3,(H,22,24)/b17-9-,18-10-.
What are the key properties of (2Z,5Z)-2-[2-(4-chlorophenyl)-2-oxoethylidene]-5-[(3-fluoro-4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one?
(2Z,5Z)-2-[2-(4-chlorophenyl)-2-oxoethylidene]-5-[(3-fluoro-4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 389.84 g/mol, XLogP of 2.73, 4 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-[(3-fluoro-4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 9037137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).