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

C16H9ClN4O3S — CID 154172827

IUPAC5-[[7-[(6-chloro-3-pyridinyl)amino]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C(=Cc2cc3cncc(Nc4ccc(Cl)nc4)c3o2)S1
InChIInChI=1S/C16H9ClN4O3S/c17-13-2-1-9(6-19-13)20-11-7-18-5-8-3-10(24-14(8)11)4-12-15(22)21-16(23)25-12/h1-7,20H,(H,21,22,23)
InChIKeyGTOHHQZMWFOLJL-UHFFFAOYSA-N
MW372.79 g/mol
LogP3.94
Rot. Bonds3

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

5-[[7-[(6-chloro-3-pyridinyl)amino]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 154172827) has the molecular formula C16H9ClN4O3S and a molecular weight of 372.79 g/mol. Its IUPAC name is 5-[[7-[(6-chloro-3-pyridinyl)amino]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[7-[(6-chloro-3-pyridinyl)amino]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID154172827
Molecular FormulaC16H9ClN4O3S
Molecular Weight372.79 g/mol
Exact Mass372.01
IUPAC Name5-[[7-[(6-chloro-3-pyridinyl)amino]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C(=Cc2cc3cncc(Nc4ccc(Cl)nc4)c3o2)S1
InChIInChI=1S/C16H9ClN4O3S/c17-13-2-1-9(6-19-13)20-11-7-18-5-8-3-10(24-14(8)11)4-12-15(22)21-16(23)25-12/h1-7,20H,(H,21,22,23)
InChIKeyGTOHHQZMWFOLJL-UHFFFAOYSA-N
XLogP3.94
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.79
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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 5-[[7-[(6-chloro-3-pyridinyl)amino]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[[7-[(6-chloro-3-pyridinyl)amino]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione (CID 154172827) is 5-[[7-[(6-chloro-3-pyridinyl)amino]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[[7-[(6-chloro-3-pyridinyl)amino]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[[7-[(6-chloro-3-pyridinyl)amino]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)C(=Cc2cc3cncc(Nc4ccc(Cl)nc4)c3o2)S1.
What is the InChIKey of 5-[[7-[(6-chloro-3-pyridinyl)amino]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is GTOHHQZMWFOLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClN4O3S/c17-13-2-1-9(6-19-13)20-11-7-18-5-8-3-10(24-14(8)11)4-12-15(22)21-16(23)25-12/h1-7,20H,(H,21,22,23).
What are the key properties of 5-[[7-[(6-chloro-3-pyridinyl)amino]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
5-[[7-[(6-chloro-3-pyridinyl)amino]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 372.79 g/mol, XLogP of 3.94, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[7-[(6-chloro-3-pyridinyl)amino]furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 154172827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).