furan-2-yl(1,3-thiazol-2-yl)methanone

C8H5NO2S — CID 2759244

IUPACfuran-2-yl(1,3-thiazol-2-yl)methanone
SMILESO=C(c1ccco1)c1nccs1
InChIInChI=1S/C8H5NO2S/c10-7(6-2-1-4-11-6)8-9-3-5-12-8/h1-5H
InChIKeyZPDZXDBCHKCECB-UHFFFAOYSA-N
MW179.20 g/mol
LogP1.97
Rot. Bonds2

About furan-2-yl(1,3-thiazol-2-yl)methanone

furan-2-yl(1,3-thiazol-2-yl)methanone (PubChem CID 2759244) has the molecular formula C8H5NO2S and a molecular weight of 179.20 g/mol. Its IUPAC name is furan-2-yl(1,3-thiazol-2-yl)methanone.

Molecular Properties

Compound Namefuran-2-yl(1,3-thiazol-2-yl)methanone
PubChem CID2759244
Molecular FormulaC8H5NO2S
Molecular Weight179.20 g/mol
Exact Mass179.00
IUPAC Namefuran-2-yl(1,3-thiazol-2-yl)methanone
SMILESO=C(c1ccco1)c1nccs1
InChIInChI=1S/C8H5NO2S/c10-7(6-2-1-4-11-6)8-9-3-5-12-8/h1-5H
InChIKeyZPDZXDBCHKCECB-UHFFFAOYSA-N
XLogP1.97
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.20
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl(1,3-thiazol-2-yl)methanone?
The IUPAC name of furan-2-yl(1,3-thiazol-2-yl)methanone (CID 2759244) is furan-2-yl(1,3-thiazol-2-yl)methanone.
What is the SMILES notation for furan-2-yl(1,3-thiazol-2-yl)methanone?
The canonical SMILES for furan-2-yl(1,3-thiazol-2-yl)methanone is O=C(c1ccco1)c1nccs1.
What is the InChIKey of furan-2-yl(1,3-thiazol-2-yl)methanone?
The InChIKey is ZPDZXDBCHKCECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5NO2S/c10-7(6-2-1-4-11-6)8-9-3-5-12-8/h1-5H.
What are the key properties of furan-2-yl(1,3-thiazol-2-yl)methanone?
furan-2-yl(1,3-thiazol-2-yl)methanone has a molecular weight of 179.20 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl(1,3-thiazol-2-yl)methanone is sourced from PubChem (CID 2759244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).