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

C16H12N2O3S — CID 118089891

IUPAC(5Z)-5-[(7-pent-1-ynylfuro[3,2-c]pyridin-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCCCC#Cc1cncc2cc(/C=C3\SC(=O)NC3=O)oc12
InChIInChI=1S/C16H12N2O3S/c1-2-3-4-5-10-8-17-9-11-6-12(21-14(10)11)7-13-15(19)18-16(20)22-13/h6-9H,2-3H2,1H3,(H,18,19,20)/b13-7-
InChIKeySXUDLVAFLAVWQT-QPEQYQDCSA-N
MW312.35 g/mol
LogP3.30
Rot. Bonds2

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

(5Z)-5-[(7-pent-1-ynylfuro[3,2-c]pyridin-2-yl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 118089891) has the molecular formula C16H12N2O3S and a molecular weight of 312.35 g/mol. Its IUPAC name is (5Z)-5-[(7-pent-1-ynylfuro[3,2-c]pyridin-2-yl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(7-pent-1-ynylfuro[3,2-c]pyridin-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID118089891
Molecular FormulaC16H12N2O3S
Molecular Weight312.35 g/mol
Exact Mass312.06
IUPAC Name(5Z)-5-[(7-pent-1-ynylfuro[3,2-c]pyridin-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCCCC#Cc1cncc2cc(/C=C3\SC(=O)NC3=O)oc12
InChIInChI=1S/C16H12N2O3S/c1-2-3-4-5-10-8-17-9-11-6-12(21-14(10)11)7-13-15(19)18-16(20)22-13/h6-9H,2-3H2,1H3,(H,18,19,20)/b13-7-
InChIKeySXUDLVAFLAVWQT-QPEQYQDCSA-N
XLogP3.30
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(7-pent-1-ynylfuro[3,2-c]pyridin-2-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(7-pent-1-ynylfuro[3,2-c]pyridin-2-yl)methylidene]-1,3-thiazolidine-2,4-dione (CID 118089891) is (5Z)-5-[(7-pent-1-ynylfuro[3,2-c]pyridin-2-yl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(7-pent-1-ynylfuro[3,2-c]pyridin-2-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(7-pent-1-ynylfuro[3,2-c]pyridin-2-yl)methylidene]-1,3-thiazolidine-2,4-dione is CCCC#Cc1cncc2cc(/C=C3\SC(=O)NC3=O)oc12.
What is the InChIKey of (5Z)-5-[(7-pent-1-ynylfuro[3,2-c]pyridin-2-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is SXUDLVAFLAVWQT-QPEQYQDCSA-N. The full InChI is InChI=1S/C16H12N2O3S/c1-2-3-4-5-10-8-17-9-11-6-12(21-14(10)11)7-13-15(19)18-16(20)22-13/h6-9H,2-3H2,1H3,(H,18,19,20)/b13-7-.
What are the key properties of (5Z)-5-[(7-pent-1-ynylfuro[3,2-c]pyridin-2-yl)methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[(7-pent-1-ynylfuro[3,2-c]pyridin-2-yl)methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 312.35 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(7-pent-1-ynylfuro[3,2-c]pyridin-2-yl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 118089891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).