1-[2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]propan-2-one

C11H11NO2S — CID 115091235

IUPAC1-[2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]propan-2-one
SMILESCC(=O)Cc1cnc(-c2ccc(C)o2)s1
InChIInChI=1S/C11H11NO2S/c1-7(13)5-9-6-12-11(15-9)10-4-3-8(2)14-10/h3-4,6H,5H2,1-2H3
InChIKeyCJKYAZSENGYGTN-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.84
Rot. Bonds3

About 1-[2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]propan-2-one

1-[2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]propan-2-one (PubChem CID 115091235) has the molecular formula C11H11NO2S and a molecular weight of 221.28 g/mol. Its IUPAC name is 1-[2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]propan-2-one.

Molecular Properties

Compound Name1-[2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]propan-2-one
PubChem CID115091235
Molecular FormulaC11H11NO2S
Molecular Weight221.28 g/mol
Exact Mass221.05
IUPAC Name1-[2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]propan-2-one
SMILESCC(=O)Cc1cnc(-c2ccc(C)o2)s1
InChIInChI=1S/C11H11NO2S/c1-7(13)5-9-6-12-11(15-9)10-4-3-8(2)14-10/h3-4,6H,5H2,1-2H3
InChIKeyCJKYAZSENGYGTN-UHFFFAOYSA-N
XLogP2.84
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]propan-2-one?
The IUPAC name of 1-[2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]propan-2-one (CID 115091235) is 1-[2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]propan-2-one.
What is the SMILES notation for 1-[2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]propan-2-one?
The canonical SMILES for 1-[2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]propan-2-one is CC(=O)Cc1cnc(-c2ccc(C)o2)s1.
What is the InChIKey of 1-[2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]propan-2-one?
The InChIKey is CJKYAZSENGYGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S/c1-7(13)5-9-6-12-11(15-9)10-4-3-8(2)14-10/h3-4,6H,5H2,1-2H3.
What are the key properties of 1-[2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]propan-2-one?
1-[2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]propan-2-one has a molecular weight of 221.28 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]propan-2-one is sourced from PubChem (CID 115091235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).