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

C17H10FN3O2S2 — CID 118089632

IUPAC(5E)-5-[[7-(3-amino-4-fluorophenyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESNc1cc(-c2cncc3cc(/C=C4/SC(=S)NC4=O)oc23)ccc1F
InChIInChI=1S/C17H10FN3O2S2/c18-12-2-1-8(4-13(12)19)11-7-20-6-9-3-10(23-15(9)11)5-14-16(22)21-17(24)25-14/h1-7H,19H2,(H,21,22,24)/b14-5+
InChIKeyNTCNLNSHTIBQIU-LHHJGKSTSA-N
MW371.42 g/mol
LogP3.70
Rot. Bonds2

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

(5E)-5-[[7-(3-amino-4-fluorophenyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 118089632) has the molecular formula C17H10FN3O2S2 and a molecular weight of 371.42 g/mol. Its IUPAC name is (5E)-5-[[7-(3-amino-4-fluorophenyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-[[7-(3-amino-4-fluorophenyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID118089632
Molecular FormulaC17H10FN3O2S2
Molecular Weight371.42 g/mol
Exact Mass371.02
IUPAC Name(5E)-5-[[7-(3-amino-4-fluorophenyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESNc1cc(-c2cncc3cc(/C=C4/SC(=S)NC4=O)oc23)ccc1F
InChIInChI=1S/C17H10FN3O2S2/c18-12-2-1-8(4-13(12)19)11-7-20-6-9-3-10(23-15(9)11)5-14-16(22)21-17(24)25-14/h1-7H,19H2,(H,21,22,24)/b14-5+
InChIKeyNTCNLNSHTIBQIU-LHHJGKSTSA-N
XLogP3.70
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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-(3-amino-4-fluorophenyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-5-[[7-(3-amino-4-fluorophenyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 118089632) is (5E)-5-[[7-(3-amino-4-fluorophenyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-5-[[7-(3-amino-4-fluorophenyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-5-[[7-(3-amino-4-fluorophenyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is Nc1cc(-c2cncc3cc(/C=C4/SC(=S)NC4=O)oc23)ccc1F.
What is the InChIKey of (5E)-5-[[7-(3-amino-4-fluorophenyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is NTCNLNSHTIBQIU-LHHJGKSTSA-N. The full InChI is InChI=1S/C17H10FN3O2S2/c18-12-2-1-8(4-13(12)19)11-7-20-6-9-3-10(23-15(9)11)5-14-16(22)21-17(24)25-14/h1-7H,19H2,(H,21,22,24)/b14-5+.
What are the key properties of (5E)-5-[[7-(3-amino-4-fluorophenyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
(5E)-5-[[7-(3-amino-4-fluorophenyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 371.42 g/mol, XLogP of 3.70, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[7-(3-amino-4-fluorophenyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 118089632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).