(5Z)-5-[[5-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione

C14H8N4O3S2 — CID 121406493

IUPAC(5Z)-5-[[5-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2ccc(Sc3nc4ncccc4[nH]3)o2)S1
InChIInChI=1S/C14H8N4O3S2/c19-12-9(22-14(20)18-12)6-7-3-4-10(21-7)23-13-16-8-2-1-5-15-11(8)17-13/h1-6H,(H,15,16,17)(H,18,19,20)/b9-6-
InChIKeyYYCCAZLENMIDJZ-TWGQIWQCSA-N
MW344.38 g/mol
LogP3.03
Rot. Bonds3

About (5Z)-5-[[5-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione

(5Z)-5-[[5-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 121406493) has the molecular formula C14H8N4O3S2 and a molecular weight of 344.38 g/mol. Its IUPAC name is (5Z)-5-[[5-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[5-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID121406493
Molecular FormulaC14H8N4O3S2
Molecular Weight344.38 g/mol
Exact Mass344.00
IUPAC Name(5Z)-5-[[5-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2ccc(Sc3nc4ncccc4[nH]3)o2)S1
InChIInChI=1S/C14H8N4O3S2/c19-12-9(22-14(20)18-12)6-7-3-4-10(21-7)23-13-16-8-2-1-5-15-11(8)17-13/h1-6H,(H,15,16,17)(H,18,19,20)/b9-6-
InChIKeyYYCCAZLENMIDJZ-TWGQIWQCSA-N
XLogP3.03
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-[[5-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[5-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione (CID 121406493) is (5Z)-5-[[5-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[5-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[5-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C/c2ccc(Sc3nc4ncccc4[nH]3)o2)S1.
What is the InChIKey of (5Z)-5-[[5-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is YYCCAZLENMIDJZ-TWGQIWQCSA-N. The full InChI is InChI=1S/C14H8N4O3S2/c19-12-9(22-14(20)18-12)6-7-3-4-10(21-7)23-13-16-8-2-1-5-15-11(8)17-13/h1-6H,(H,15,16,17)(H,18,19,20)/b9-6-.
What are the key properties of (5Z)-5-[[5-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[5-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 344.38 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[5-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 121406493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).