(5E)-5-[[7-(2,5-difluoro-4-methoxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

C18H10F2N2O3S2 — CID 118089784

IUPAC(5E)-5-[[7-(2,5-difluoro-4-methoxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCOc1cc(F)c(-c2cncc3cc(/C=C4/SC(=S)NC4=O)oc23)cc1F
InChIInChI=1S/C18H10F2N2O3S2/c1-24-14-5-12(19)10(4-13(14)20)11-7-21-6-8-2-9(25-16(8)11)3-15-17(23)22-18(26)27-15/h2-7H,1H3,(H,22,23,26)/b15-3+
InChIKeyMCRZLBXFOHEHBJ-CRKCGEKBSA-N
MW404.42 g/mol
LogP4.27
Rot. Bonds3

About (5E)-5-[[7-(2,5-difluoro-4-methoxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

(5E)-5-[[7-(2,5-difluoro-4-methoxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 118089784) has the molecular formula C18H10F2N2O3S2 and a molecular weight of 404.42 g/mol. Its IUPAC name is (5E)-5-[[7-(2,5-difluoro-4-methoxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-[[7-(2,5-difluoro-4-methoxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID118089784
Molecular FormulaC18H10F2N2O3S2
Molecular Weight404.42 g/mol
Exact Mass404.01
IUPAC Name(5E)-5-[[7-(2,5-difluoro-4-methoxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCOc1cc(F)c(-c2cncc3cc(/C=C4/SC(=S)NC4=O)oc23)cc1F
InChIInChI=1S/C18H10F2N2O3S2/c1-24-14-5-12(19)10(4-13(14)20)11-7-21-6-8-2-9(25-16(8)11)3-15-17(23)22-18(26)27-15/h2-7H,1H3,(H,22,23,26)/b15-3+
InChIKeyMCRZLBXFOHEHBJ-CRKCGEKBSA-N
XLogP4.27
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[7-(2,5-difluoro-4-methoxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-5-[[7-(2,5-difluoro-4-methoxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 118089784) is (5E)-5-[[7-(2,5-difluoro-4-methoxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-5-[[7-(2,5-difluoro-4-methoxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-5-[[7-(2,5-difluoro-4-methoxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is COc1cc(F)c(-c2cncc3cc(/C=C4/SC(=S)NC4=O)oc23)cc1F.
What is the InChIKey of (5E)-5-[[7-(2,5-difluoro-4-methoxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is MCRZLBXFOHEHBJ-CRKCGEKBSA-N. The full InChI is InChI=1S/C18H10F2N2O3S2/c1-24-14-5-12(19)10(4-13(14)20)11-7-21-6-8-2-9(25-16(8)11)3-15-17(23)22-18(26)27-15/h2-7H,1H3,(H,22,23,26)/b15-3+.
What are the key properties of (5E)-5-[[7-(2,5-difluoro-4-methoxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
(5E)-5-[[7-(2,5-difluoro-4-methoxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 404.42 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[7-(2,5-difluoro-4-methoxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 118089784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).