(2E,5E)-5-[(2-chloro-6-fluorophenyl)methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one

C19H13ClFNO3S — CID 8829802

IUPAC(2E,5E)-5-[(2-chloro-6-fluorophenyl)methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
SMILESCOc1ccc(C(=O)/C=c2\[nH]c(=O)/c(=C\c3c(F)cccc3Cl)s2)cc1
InChIInChI=1S/C19H13ClFNO3S/c1-25-12-7-5-11(6-8-12)16(23)10-18-22-19(24)17(26-18)9-13-14(20)3-2-4-15(13)21/h2-10H,1H3,(H,22,24)/b17-9+,18-10+
InChIKeySQFJCOMSYRXBCY-BEQMOXJMSA-N
MW389.84 g/mol
LogP2.73
Rot. Bonds4

About (2E,5E)-5-[(2-chloro-6-fluorophenyl)methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one

(2E,5E)-5-[(2-chloro-6-fluorophenyl)methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one (PubChem CID 8829802) has the molecular formula C19H13ClFNO3S and a molecular weight of 389.84 g/mol. Its IUPAC name is (2E,5E)-5-[(2-chloro-6-fluorophenyl)methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E,5E)-5-[(2-chloro-6-fluorophenyl)methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
PubChem CID8829802
Molecular FormulaC19H13ClFNO3S
Molecular Weight389.84 g/mol
Exact Mass389.03
IUPAC Name(2E,5E)-5-[(2-chloro-6-fluorophenyl)methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
SMILESCOc1ccc(C(=O)/C=c2\[nH]c(=O)/c(=C\c3c(F)cccc3Cl)s2)cc1
InChIInChI=1S/C19H13ClFNO3S/c1-25-12-7-5-11(6-8-12)16(23)10-18-22-19(24)17(26-18)9-13-14(20)3-2-4-15(13)21/h2-10H,1H3,(H,22,24)/b17-9+,18-10+
InChIKeySQFJCOMSYRXBCY-BEQMOXJMSA-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 (2E,5E)-5-[(2-chloro-6-fluorophenyl)methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2E,5E)-5-[(2-chloro-6-fluorophenyl)methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one (CID 8829802) is (2E,5E)-5-[(2-chloro-6-fluorophenyl)methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E,5E)-5-[(2-chloro-6-fluorophenyl)methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E,5E)-5-[(2-chloro-6-fluorophenyl)methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one is COc1ccc(C(=O)/C=c2\[nH]c(=O)/c(=C\c3c(F)cccc3Cl)s2)cc1.
What is the InChIKey of (2E,5E)-5-[(2-chloro-6-fluorophenyl)methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one?
The InChIKey is SQFJCOMSYRXBCY-BEQMOXJMSA-N. The full InChI is InChI=1S/C19H13ClFNO3S/c1-25-12-7-5-11(6-8-12)16(23)10-18-22-19(24)17(26-18)9-13-14(20)3-2-4-15(13)21/h2-10H,1H3,(H,22,24)/b17-9+,18-10+.
What are the key properties of (2E,5E)-5-[(2-chloro-6-fluorophenyl)methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one?
(2E,5E)-5-[(2-chloro-6-fluorophenyl)methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-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 (2E,5E)-5-[(2-chloro-6-fluorophenyl)methylidene]-2-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 8829802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).