(2E)-2-(furan-2-ylmethylidene)-5,6-dihydropyrrolo[2,1-b][1,3]thiazol-3-one

C11H9NO2S — CID 30470037

IUPAC(2E)-2-(furan-2-ylmethylidene)-5,6-dihydropyrrolo[2,1-b][1,3]thiazol-3-one
SMILESO=c1/c(=C\c2ccco2)sc2n1CCC=2
InChIInChI=1S/C11H9NO2S/c13-11-9(7-8-3-2-6-14-8)15-10-4-1-5-12(10)11/h2-4,6-7H,1,5H2/b9-7+
InChIKeyAYJIFWCJIZSIDM-VQHVLOKHSA-N
MW219.27 g/mol
LogP0.52
Rot. Bonds1

About (2E)-2-(furan-2-ylmethylidene)-5,6-dihydropyrrolo[2,1-b][1,3]thiazol-3-one

(2E)-2-(furan-2-ylmethylidene)-5,6-dihydropyrrolo[2,1-b][1,3]thiazol-3-one (PubChem CID 30470037) has the molecular formula C11H9NO2S and a molecular weight of 219.27 g/mol. Its IUPAC name is (2E)-2-(furan-2-ylmethylidene)-5,6-dihydropyrrolo[2,1-b][1,3]thiazol-3-one.

Molecular Properties

Compound Name(2E)-2-(furan-2-ylmethylidene)-5,6-dihydropyrrolo[2,1-b][1,3]thiazol-3-one
PubChem CID30470037
Molecular FormulaC11H9NO2S
Molecular Weight219.27 g/mol
Exact Mass219.04
IUPAC Name(2E)-2-(furan-2-ylmethylidene)-5,6-dihydropyrrolo[2,1-b][1,3]thiazol-3-one
SMILESO=c1/c(=C\c2ccco2)sc2n1CCC=2
InChIInChI=1S/C11H9NO2S/c13-11-9(7-8-3-2-6-14-8)15-10-4-1-5-12(10)11/h2-4,6-7H,1,5H2/b9-7+
InChIKeyAYJIFWCJIZSIDM-VQHVLOKHSA-N
XLogP0.52
TPSA35.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-(furan-2-ylmethylidene)-5,6-dihydropyrrolo[2,1-b][1,3]thiazol-3-one?
The IUPAC name of (2E)-2-(furan-2-ylmethylidene)-5,6-dihydropyrrolo[2,1-b][1,3]thiazol-3-one (CID 30470037) is (2E)-2-(furan-2-ylmethylidene)-5,6-dihydropyrrolo[2,1-b][1,3]thiazol-3-one.
What is the SMILES notation for (2E)-2-(furan-2-ylmethylidene)-5,6-dihydropyrrolo[2,1-b][1,3]thiazol-3-one?
The canonical SMILES for (2E)-2-(furan-2-ylmethylidene)-5,6-dihydropyrrolo[2,1-b][1,3]thiazol-3-one is O=c1/c(=C\c2ccco2)sc2n1CCC=2.
What is the InChIKey of (2E)-2-(furan-2-ylmethylidene)-5,6-dihydropyrrolo[2,1-b][1,3]thiazol-3-one?
The InChIKey is AYJIFWCJIZSIDM-VQHVLOKHSA-N. The full InChI is InChI=1S/C11H9NO2S/c13-11-9(7-8-3-2-6-14-8)15-10-4-1-5-12(10)11/h2-4,6-7H,1,5H2/b9-7+.
What are the key properties of (2E)-2-(furan-2-ylmethylidene)-5,6-dihydropyrrolo[2,1-b][1,3]thiazol-3-one?
(2E)-2-(furan-2-ylmethylidene)-5,6-dihydropyrrolo[2,1-b][1,3]thiazol-3-one has a molecular weight of 219.27 g/mol, XLogP of 0.52, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(furan-2-ylmethylidene)-5,6-dihydropyrrolo[2,1-b][1,3]thiazol-3-one is sourced from PubChem (CID 30470037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).