3-(5-chlorothiophen-2-yl)-5-methylidene-4-thiophen-3-yl-2H-furan

C13H9ClOS2 — CID 160884788

IUPAC3-(5-chlorothiophen-2-yl)-5-methylidene-4-thiophen-3-yl-2H-furan
SMILESC=C1OCC(c2ccc(Cl)s2)=C1c1ccsc1
InChIInChI=1S/C13H9ClOS2/c1-8-13(9-4-5-16-7-9)10(6-15-8)11-2-3-12(14)17-11/h2-5,7H,1,6H2
InChIKeyKBYRBCNJJOTBRE-UHFFFAOYSA-N
MW280.80 g/mol
LogP4.92
Rot. Bonds2

About 3-(5-chlorothiophen-2-yl)-5-methylidene-4-thiophen-3-yl-2H-furan

3-(5-chlorothiophen-2-yl)-5-methylidene-4-thiophen-3-yl-2H-furan (PubChem CID 160884788) has the molecular formula C13H9ClOS2 and a molecular weight of 280.80 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-5-methylidene-4-thiophen-3-yl-2H-furan.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)-5-methylidene-4-thiophen-3-yl-2H-furan
PubChem CID160884788
Molecular FormulaC13H9ClOS2
Molecular Weight280.80 g/mol
Exact Mass279.98
IUPAC Name3-(5-chlorothiophen-2-yl)-5-methylidene-4-thiophen-3-yl-2H-furan
SMILESC=C1OCC(c2ccc(Cl)s2)=C1c1ccsc1
InChIInChI=1S/C13H9ClOS2/c1-8-13(9-4-5-16-7-9)10(6-15-8)11-2-3-12(14)17-11/h2-5,7H,1,6H2
InChIKeyKBYRBCNJJOTBRE-UHFFFAOYSA-N
XLogP4.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(5-chlorothiophen-2-yl)-5-methylidene-4-thiophen-3-yl-2H-furan 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 3-(5-chlorothiophen-2-yl)-5-methylidene-4-thiophen-3-yl-2H-furan?
The IUPAC name of 3-(5-chlorothiophen-2-yl)-5-methylidene-4-thiophen-3-yl-2H-furan (CID 160884788) is 3-(5-chlorothiophen-2-yl)-5-methylidene-4-thiophen-3-yl-2H-furan.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-5-methylidene-4-thiophen-3-yl-2H-furan?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)-5-methylidene-4-thiophen-3-yl-2H-furan is C=C1OCC(c2ccc(Cl)s2)=C1c1ccsc1.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)-5-methylidene-4-thiophen-3-yl-2H-furan?
The InChIKey is KBYRBCNJJOTBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClOS2/c1-8-13(9-4-5-16-7-9)10(6-15-8)11-2-3-12(14)17-11/h2-5,7H,1,6H2.
What are the key properties of 3-(5-chlorothiophen-2-yl)-5-methylidene-4-thiophen-3-yl-2H-furan?
3-(5-chlorothiophen-2-yl)-5-methylidene-4-thiophen-3-yl-2H-furan has a molecular weight of 280.80 g/mol, XLogP of 4.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)-5-methylidene-4-thiophen-3-yl-2H-furan is sourced from PubChem (CID 160884788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).