(5Z)-5-[[7-(4-chloroanilino)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione

C17H10ClN3O3S — CID 118089897

IUPAC(5Z)-5-[[7-(4-chloroanilino)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2cc3cncc(Nc4ccc(Cl)cc4)c3o2)S1
InChIInChI=1S/C17H10ClN3O3S/c18-10-1-3-11(4-2-10)20-13-8-19-7-9-5-12(24-15(9)13)6-14-16(22)21-17(23)25-14/h1-8,20H,(H,21,22,23)/b14-6-
InChIKeyQMRCKUOPAFNDPV-NSIKDUERSA-N
MW371.81 g/mol
LogP4.55
Rot. Bonds3

About (5Z)-5-[[7-(4-chloroanilino)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione

(5Z)-5-[[7-(4-chloroanilino)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 118089897) has the molecular formula C17H10ClN3O3S and a molecular weight of 371.81 g/mol. Its IUPAC name is (5Z)-5-[[7-(4-chloroanilino)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[7-(4-chloroanilino)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID118089897
Molecular FormulaC17H10ClN3O3S
Molecular Weight371.81 g/mol
Exact Mass371.01
IUPAC Name(5Z)-5-[[7-(4-chloroanilino)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2cc3cncc(Nc4ccc(Cl)cc4)c3o2)S1
InChIInChI=1S/C17H10ClN3O3S/c18-10-1-3-11(4-2-10)20-13-8-19-7-9-5-12(24-15(9)13)6-14-16(22)21-17(23)25-14/h1-8,20H,(H,21,22,23)/b14-6-
InChIKeyQMRCKUOPAFNDPV-NSIKDUERSA-N
XLogP4.55
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.81
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[7-(4-chloroanilino)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[7-(4-chloroanilino)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione (CID 118089897) is (5Z)-5-[[7-(4-chloroanilino)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[7-(4-chloroanilino)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[7-(4-chloroanilino)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C/c2cc3cncc(Nc4ccc(Cl)cc4)c3o2)S1.
What is the InChIKey of (5Z)-5-[[7-(4-chloroanilino)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is QMRCKUOPAFNDPV-NSIKDUERSA-N. The full InChI is InChI=1S/C17H10ClN3O3S/c18-10-1-3-11(4-2-10)20-13-8-19-7-9-5-12(24-15(9)13)6-14-16(22)21-17(23)25-14/h1-8,20H,(H,21,22,23)/b14-6-.
What are the key properties of (5Z)-5-[[7-(4-chloroanilino)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[7-(4-chloroanilino)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 371.81 g/mol, XLogP of 4.55, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[7-(4-chloroanilino)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 118089897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).