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

C14H7N3O2S3 — CID 118089952

IUPAC(5E)-2-sulfanylidene-5-[[7-(1,3-thiazol-2-yl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidin-4-one
SMILESO=C1NC(=S)S/C1=C/c1cc2cncc(-c3nccs3)c2o1
InChIInChI=1S/C14H7N3O2S3/c18-12-10(22-14(20)17-12)4-8-3-7-5-15-6-9(11(7)19-8)13-16-1-2-21-13/h1-6H,(H,17,18,20)/b10-4+
InChIKeyZMMBKZFLCHWKDL-ONNFQVAWSA-N
MW345.43 g/mol
LogP3.44
Rot. Bonds2

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

(5E)-2-sulfanylidene-5-[[7-(1,3-thiazol-2-yl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidin-4-one (PubChem CID 118089952) has the molecular formula C14H7N3O2S3 and a molecular weight of 345.43 g/mol. Its IUPAC name is (5E)-2-sulfanylidene-5-[[7-(1,3-thiazol-2-yl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-2-sulfanylidene-5-[[7-(1,3-thiazol-2-yl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidin-4-one
PubChem CID118089952
Molecular FormulaC14H7N3O2S3
Molecular Weight345.43 g/mol
Exact Mass344.97
IUPAC Name(5E)-2-sulfanylidene-5-[[7-(1,3-thiazol-2-yl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidin-4-one
SMILESO=C1NC(=S)S/C1=C/c1cc2cncc(-c3nccs3)c2o1
InChIInChI=1S/C14H7N3O2S3/c18-12-10(22-14(20)17-12)4-8-3-7-5-15-6-9(11(7)19-8)13-16-1-2-21-13/h1-6H,(H,17,18,20)/b10-4+
InChIKeyZMMBKZFLCHWKDL-ONNFQVAWSA-N
XLogP3.44
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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'}

Analyze (5E)-2-sulfanylidene-5-[[7-(1,3-thiazol-2-yl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidin-4-one with MolForge

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Related Compounds

(5Z)-5-[[7-(6-methyl-3-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 142717669
(5Z)-5-[[7-(2-methoxy-4-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 118090196
(5E)-5-[[7-(4-hydroxy-3,5-dimethylphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 118090525
(5E)-5-[[7-(6-chloro-5-methyl-3-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 118090666
(5E)-5-[[7-(2,2-difluoro-1,3-benzodioxol-5-yl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 118090276
(5Z)-5-[[7-[4-amino-3-(trifluoromethyl)phenyl]furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 118090736
(5Z)-5-[[7-(5-fluoro-6-methoxy-3-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 118089658
5-[[7-[4-amino-3-(trifluoromethyl)phenyl]furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 154190586
5-[[7-(2,5-difluoro-4-methoxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 154204400
5-[[7-(5-chloro-6-propan-2-yloxy-3-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 154163972
(5E)-5-[[7-(5-chloro-6-propan-2-yloxy-3-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 118090055
(5Z)-5-[[7-[4-fluoro-3-(trifluoromethyl)phenyl]furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 118090388

Frequently Asked Questions

What is the IUPAC name of (5E)-2-sulfanylidene-5-[[7-(1,3-thiazol-2-yl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-2-sulfanylidene-5-[[7-(1,3-thiazol-2-yl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidin-4-one (CID 118089952) is (5E)-2-sulfanylidene-5-[[7-(1,3-thiazol-2-yl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-2-sulfanylidene-5-[[7-(1,3-thiazol-2-yl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-2-sulfanylidene-5-[[7-(1,3-thiazol-2-yl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidin-4-one is O=C1NC(=S)S/C1=C/c1cc2cncc(-c3nccs3)c2o1.
What is the InChIKey of (5E)-2-sulfanylidene-5-[[7-(1,3-thiazol-2-yl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidin-4-one?
The InChIKey is ZMMBKZFLCHWKDL-ONNFQVAWSA-N. The full InChI is InChI=1S/C14H7N3O2S3/c18-12-10(22-14(20)17-12)4-8-3-7-5-15-6-9(11(7)19-8)13-16-1-2-21-13/h1-6H,(H,17,18,20)/b10-4+.
What are the key properties of (5E)-2-sulfanylidene-5-[[7-(1,3-thiazol-2-yl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidin-4-one?
(5E)-2-sulfanylidene-5-[[7-(1,3-thiazol-2-yl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidin-4-one has a molecular weight of 345.43 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-sulfanylidene-5-[[7-(1,3-thiazol-2-yl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 118089952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).