(5Z)-5-[[7-(5-fluoro-6-methoxy-3-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

C17H10FN3O3S2 — CID 118089658

IUPAC(5Z)-5-[[7-(5-fluoro-6-methoxy-3-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCOc1ncc(-c2cncc3cc(/C=C4\SC(=S)NC4=O)oc23)cc1F
InChIInChI=1S/C17H10FN3O3S2/c1-23-16-12(18)3-8(6-20-16)11-7-19-5-9-2-10(24-14(9)11)4-13-15(22)21-17(25)26-13/h2-7H,1H3,(H,21,22,25)/b13-4-
InChIKeyCIZSGDASWDBERN-PQMHYQBVSA-N
MW387.42 g/mol
LogP3.53
Rot. Bonds3

About (5Z)-5-[[7-(5-fluoro-6-methoxy-3-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

(5Z)-5-[[7-(5-fluoro-6-methoxy-3-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 118089658) has the molecular formula C17H10FN3O3S2 and a molecular weight of 387.42 g/mol. Its IUPAC name is (5Z)-5-[[7-(5-fluoro-6-methoxy-3-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[[7-(5-fluoro-6-methoxy-3-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID118089658
Molecular FormulaC17H10FN3O3S2
Molecular Weight387.42 g/mol
Exact Mass387.01
IUPAC Name(5Z)-5-[[7-(5-fluoro-6-methoxy-3-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCOc1ncc(-c2cncc3cc(/C=C4\SC(=S)NC4=O)oc23)cc1F
InChIInChI=1S/C17H10FN3O3S2/c1-23-16-12(18)3-8(6-20-16)11-7-19-5-9-2-10(24-14(9)11)4-13-15(22)21-17(25)26-13/h2-7H,1H3,(H,21,22,25)/b13-4-
InChIKeyCIZSGDASWDBERN-PQMHYQBVSA-N
XLogP3.53
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 53.53
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 (5Z)-5-[[7-(5-fluoro-6-methoxy-3-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one with MolForge

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Related Compounds

5-[[7-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 154153468
(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
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
5-[[7-(2,5-difluoro-4-methoxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 154204400
(5Z)-5-[[7-(2-methoxy-4-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 118090196
methyl 2-fluoro-4-[2-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]benzoate
CID 154170267
(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-(5-chloro-6-methoxy-3-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118090757
(5E)-5-[[7-(3-fluoro-4-hydroxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 118090641
(5E)-5-[[7-(3-fluoro-4-propan-2-yloxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 118089694
(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-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118090594

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[7-(5-fluoro-6-methoxy-3-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (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) is (5Z)-5-[[7-(5-fluoro-6-methoxy-3-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[[7-(5-fluoro-6-methoxy-3-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[[7-(5-fluoro-6-methoxy-3-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is COc1ncc(-c2cncc3cc(/C=C4\SC(=S)NC4=O)oc23)cc1F.
What is the InChIKey of (5Z)-5-[[7-(5-fluoro-6-methoxy-3-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is CIZSGDASWDBERN-PQMHYQBVSA-N. The full InChI is InChI=1S/C17H10FN3O3S2/c1-23-16-12(18)3-8(6-20-16)11-7-19-5-9-2-10(24-14(9)11)4-13-15(22)21-17(25)26-13/h2-7H,1H3,(H,21,22,25)/b13-4-.
What are the key properties of (5Z)-5-[[7-(5-fluoro-6-methoxy-3-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
(5Z)-5-[[7-(5-fluoro-6-methoxy-3-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 387.42 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[7-(5-fluoro-6-methoxy-3-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 118089658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).