2-(furan-3-yl)-4-(oxan-4-yl)-1,3-thiazole

C12H13NO2S — CID 84593643

IUPAC2-(furan-3-yl)-4-(oxan-4-yl)-1,3-thiazole
SMILESc1cc(-c2nc(C3CCOCC3)cs2)co1
InChIInChI=1S/C12H13NO2S/c1-4-14-5-2-9(1)11-8-16-12(13-11)10-3-6-15-7-10/h3,6-9H,1-2,4-5H2
InChIKeyYHFHXGJJOQMYFC-UHFFFAOYSA-N
MW235.31 g/mol
LogP3.30
Rot. Bonds2

About 2-(furan-3-yl)-4-(oxan-4-yl)-1,3-thiazole

2-(furan-3-yl)-4-(oxan-4-yl)-1,3-thiazole (PubChem CID 84593643) has the molecular formula C12H13NO2S and a molecular weight of 235.31 g/mol. Its IUPAC name is 2-(furan-3-yl)-4-(oxan-4-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(furan-3-yl)-4-(oxan-4-yl)-1,3-thiazole
PubChem CID84593643
Molecular FormulaC12H13NO2S
Molecular Weight235.31 g/mol
Exact Mass235.07
IUPAC Name2-(furan-3-yl)-4-(oxan-4-yl)-1,3-thiazole
SMILESc1cc(-c2nc(C3CCOCC3)cs2)co1
InChIInChI=1S/C12H13NO2S/c1-4-14-5-2-9(1)11-8-16-12(13-11)10-3-6-15-7-10/h3,6-9H,1-2,4-5H2
InChIKeyYHFHXGJJOQMYFC-UHFFFAOYSA-N
XLogP3.30
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-yl)-4-(oxan-4-yl)-1,3-thiazole?
The IUPAC name of 2-(furan-3-yl)-4-(oxan-4-yl)-1,3-thiazole (CID 84593643) is 2-(furan-3-yl)-4-(oxan-4-yl)-1,3-thiazole.
What is the SMILES notation for 2-(furan-3-yl)-4-(oxan-4-yl)-1,3-thiazole?
The canonical SMILES for 2-(furan-3-yl)-4-(oxan-4-yl)-1,3-thiazole is c1cc(-c2nc(C3CCOCC3)cs2)co1.
What is the InChIKey of 2-(furan-3-yl)-4-(oxan-4-yl)-1,3-thiazole?
The InChIKey is YHFHXGJJOQMYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2S/c1-4-14-5-2-9(1)11-8-16-12(13-11)10-3-6-15-7-10/h3,6-9H,1-2,4-5H2.
What are the key properties of 2-(furan-3-yl)-4-(oxan-4-yl)-1,3-thiazole?
2-(furan-3-yl)-4-(oxan-4-yl)-1,3-thiazole has a molecular weight of 235.31 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-yl)-4-(oxan-4-yl)-1,3-thiazole is sourced from PubChem (CID 84593643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).