(5E)-5-[[7-(5-chloro-6-methoxy-3-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione

C17H10ClN3O4S — CID 118090757

IUPAC(5E)-5-[[7-(5-chloro-6-methoxy-3-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCOc1ncc(-c2cncc3cc(/C=C4/SC(=O)NC4=O)oc23)cc1Cl
InChIInChI=1S/C17H10ClN3O4S/c1-24-16-12(18)3-8(6-20-16)11-7-19-5-9-2-10(25-14(9)11)4-13-15(22)21-17(23)26-13/h2-7H,1H3,(H,21,22,23)/b13-4+
InChIKeyLAYOAIVETXBFFQ-YIXHJXPBSA-N
MW387.80 g/mol
LogP3.88
Rot. Bonds3

About (5E)-5-[[7-(5-chloro-6-methoxy-3-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione

(5E)-5-[[7-(5-chloro-6-methoxy-3-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 118090757) has the molecular formula C17H10ClN3O4S and a molecular weight of 387.80 g/mol. Its IUPAC name is (5E)-5-[[7-(5-chloro-6-methoxy-3-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[[7-(5-chloro-6-methoxy-3-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID118090757
Molecular FormulaC17H10ClN3O4S
Molecular Weight387.80 g/mol
Exact Mass387.01
IUPAC Name(5E)-5-[[7-(5-chloro-6-methoxy-3-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCOc1ncc(-c2cncc3cc(/C=C4/SC(=O)NC4=O)oc23)cc1Cl
InChIInChI=1S/C17H10ClN3O4S/c1-24-16-12(18)3-8(6-20-16)11-7-19-5-9-2-10(25-14(9)11)4-13-15(22)21-17(23)26-13/h2-7H,1H3,(H,21,22,23)/b13-4+
InChIKeyLAYOAIVETXBFFQ-YIXHJXPBSA-N
XLogP3.88
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.80
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze (5E)-5-[[7-(5-chloro-6-methoxy-3-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione with MolForge

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Launch Full Analysis

Related Compounds

(5Z)-5-[[7-(3,5-dichloro-4-methoxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118089721
(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
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
5-[[7-(3-chloro-4-hydroxyphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 154167204
(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
2,6-dichloro-4-[2-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furo[3,2-c]pyridin-7-yl]-N,N-dimethylbenzenesulfonamide
CID 118089390
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-[4-(methoxymethyl)phenyl]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118090685
(5E)-5-[[7-(1-methylpyrazol-4-yl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118090108
(5Z)-5-[[7-(4-hydroxy-3,5-dimethylphenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118090369
(5E)-5-[[7-(4-aminophenyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118089221

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[7-(5-chloro-6-methoxy-3-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (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) is (5E)-5-[[7-(5-chloro-6-methoxy-3-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[[7-(5-chloro-6-methoxy-3-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[[7-(5-chloro-6-methoxy-3-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is COc1ncc(-c2cncc3cc(/C=C4/SC(=O)NC4=O)oc23)cc1Cl.
What is the InChIKey of (5E)-5-[[7-(5-chloro-6-methoxy-3-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is LAYOAIVETXBFFQ-YIXHJXPBSA-N. The full InChI is InChI=1S/C17H10ClN3O4S/c1-24-16-12(18)3-8(6-20-16)11-7-19-5-9-2-10(25-14(9)11)4-13-15(22)21-17(23)26-13/h2-7H,1H3,(H,21,22,23)/b13-4+.
What are the key properties of (5E)-5-[[7-(5-chloro-6-methoxy-3-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
(5E)-5-[[7-(5-chloro-6-methoxy-3-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 387.80 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[7-(5-chloro-6-methoxy-3-pyridinyl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 118090757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).