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

C15H9N3O3S2 — CID 159123971

IUPAC(5Z)-5-[[5-(3H-pyrrolo[3,2-b]pyridin-2-ylsulfanyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2ccc(SC3=Nc4cccnc4C3)o2)S1
InChIInChI=1S/C15H9N3O3S2/c19-14-11(22-15(20)18-14)6-8-3-4-13(21-8)23-12-7-10-9(17-12)2-1-5-16-10/h1-6H,7H2,(H,18,19,20)/b11-6-
InChIKeyKGBABCNYHVNMQC-WDZFZDKYSA-N
MW343.39 g/mol
LogP3.38
Rot. Bonds2

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

(5Z)-5-[[5-(3H-pyrrolo[3,2-b]pyridin-2-ylsulfanyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 159123971) has the molecular formula C15H9N3O3S2 and a molecular weight of 343.39 g/mol. Its IUPAC name is (5Z)-5-[[5-(3H-pyrrolo[3,2-b]pyridin-2-ylsulfanyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[5-(3H-pyrrolo[3,2-b]pyridin-2-ylsulfanyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID159123971
Molecular FormulaC15H9N3O3S2
Molecular Weight343.39 g/mol
Exact Mass343.01
IUPAC Name(5Z)-5-[[5-(3H-pyrrolo[3,2-b]pyridin-2-ylsulfanyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2ccc(SC3=Nc4cccnc4C3)o2)S1
InChIInChI=1S/C15H9N3O3S2/c19-14-11(22-15(20)18-14)6-8-3-4-13(21-8)23-12-7-10-9(17-12)2-1-5-16-10/h1-6H,7H2,(H,18,19,20)/b11-6-
InChIKeyKGBABCNYHVNMQC-WDZFZDKYSA-N
XLogP3.38
TPSA84.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.38
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 (5Z)-5-[[5-(3H-pyrrolo[3,2-b]pyridin-2-ylsulfanyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[5-(3H-pyrrolo[3,2-b]pyridin-2-ylsulfanyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[5-(3H-pyrrolo[3,2-b]pyridin-2-ylsulfanyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione (CID 159123971) is (5Z)-5-[[5-(3H-pyrrolo[3,2-b]pyridin-2-ylsulfanyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[5-(3H-pyrrolo[3,2-b]pyridin-2-ylsulfanyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[5-(3H-pyrrolo[3,2-b]pyridin-2-ylsulfanyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C/c2ccc(SC3=Nc4cccnc4C3)o2)S1.
What is the InChIKey of (5Z)-5-[[5-(3H-pyrrolo[3,2-b]pyridin-2-ylsulfanyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is KGBABCNYHVNMQC-WDZFZDKYSA-N. The full InChI is InChI=1S/C15H9N3O3S2/c19-14-11(22-15(20)18-14)6-8-3-4-13(21-8)23-12-7-10-9(17-12)2-1-5-16-10/h1-6H,7H2,(H,18,19,20)/b11-6-.
What are the key properties of (5Z)-5-[[5-(3H-pyrrolo[3,2-b]pyridin-2-ylsulfanyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[5-(3H-pyrrolo[3,2-b]pyridin-2-ylsulfanyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 343.39 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[5-(3H-pyrrolo[3,2-b]pyridin-2-ylsulfanyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 159123971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).