(5Z)-2-sulfanylidene-5-[[7-[2-(trifluoromethyl)-4-pyridinyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidin-4-one

C17H8F3N3O2S2 — CID 118089920

IUPAC(5Z)-2-sulfanylidene-5-[[7-[2-(trifluoromethyl)-4-pyridinyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidin-4-one
SMILESO=C1NC(=S)S/C1=C\c1cc2cncc(-c3ccnc(C(F)(F)F)c3)c2o1
InChIInChI=1S/C17H8F3N3O2S2/c18-17(19,20)13-4-8(1-2-22-13)11-7-21-6-9-3-10(25-14(9)11)5-12-15(24)23-16(26)27-12/h1-7H,(H,23,24,26)/b12-5-
InChIKeyWOIWPZOJSICSCT-XGICHPGQSA-N
MW407.40 g/mol
LogP4.40
Rot. Bonds2

About (5Z)-2-sulfanylidene-5-[[7-[2-(trifluoromethyl)-4-pyridinyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidin-4-one

(5Z)-2-sulfanylidene-5-[[7-[2-(trifluoromethyl)-4-pyridinyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidin-4-one (PubChem CID 118089920) has the molecular formula C17H8F3N3O2S2 and a molecular weight of 407.40 g/mol. Its IUPAC name is (5Z)-2-sulfanylidene-5-[[7-[2-(trifluoromethyl)-4-pyridinyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-sulfanylidene-5-[[7-[2-(trifluoromethyl)-4-pyridinyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidin-4-one
PubChem CID118089920
Molecular FormulaC17H8F3N3O2S2
Molecular Weight407.40 g/mol
Exact Mass407.00
IUPAC Name(5Z)-2-sulfanylidene-5-[[7-[2-(trifluoromethyl)-4-pyridinyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidin-4-one
SMILESO=C1NC(=S)S/C1=C\c1cc2cncc(-c3ccnc(C(F)(F)F)c3)c2o1
InChIInChI=1S/C17H8F3N3O2S2/c18-17(19,20)13-4-8(1-2-22-13)11-7-21-6-9-3-10(25-14(9)11)5-12-15(24)23-16(26)27-12/h1-7H,(H,23,24,26)/b12-5-
InChIKeyWOIWPZOJSICSCT-XGICHPGQSA-N
XLogP4.40
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.40
LogP ≤ 54.40
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 (5Z)-2-sulfanylidene-5-[[7-[2-(trifluoromethyl)-4-pyridinyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-sulfanylidene-5-[[7-[2-(trifluoromethyl)-4-pyridinyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidin-4-one (CID 118089920) is (5Z)-2-sulfanylidene-5-[[7-[2-(trifluoromethyl)-4-pyridinyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-sulfanylidene-5-[[7-[2-(trifluoromethyl)-4-pyridinyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-sulfanylidene-5-[[7-[2-(trifluoromethyl)-4-pyridinyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidin-4-one is O=C1NC(=S)S/C1=C\c1cc2cncc(-c3ccnc(C(F)(F)F)c3)c2o1.
What is the InChIKey of (5Z)-2-sulfanylidene-5-[[7-[2-(trifluoromethyl)-4-pyridinyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidin-4-one?
The InChIKey is WOIWPZOJSICSCT-XGICHPGQSA-N. The full InChI is InChI=1S/C17H8F3N3O2S2/c18-17(19,20)13-4-8(1-2-22-13)11-7-21-6-9-3-10(25-14(9)11)5-12-15(24)23-16(26)27-12/h1-7H,(H,23,24,26)/b12-5-.
What are the key properties of (5Z)-2-sulfanylidene-5-[[7-[2-(trifluoromethyl)-4-pyridinyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidin-4-one?
(5Z)-2-sulfanylidene-5-[[7-[2-(trifluoromethyl)-4-pyridinyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidin-4-one has a molecular weight of 407.40 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-sulfanylidene-5-[[7-[2-(trifluoromethyl)-4-pyridinyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 118089920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).