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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Related Compounds

1-(2-pyridin-2-yl-1,3-thiazol-5-yl)propan-2-one
CID 115091334
1-[2-[2-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propan-2-one
CID 115091833
methyl 2-[4-methyl-2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]acetate
CID 116886343
1-[[5-(5-methylfuran-2-yl)pyrimidin-2-yl]amino]propan-2-one
CID 116975894
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 28819374
2-(5-methylfuran-2-yl)-5-(2-pyrazin-2-ylprop-1-enyl)-1,3-thiazole
CID 127265232
3-[2-(5-bromofuran-2-yl)-1,3-thiazol-5-yl]propanoic acid
CID 115091320
1-[2-(5-chlorofuran-2-yl)-1,3-thiazol-5-yl]ethanone
CID 115091217
N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-5-yl]methyl]-1H-indazol-5-amine
CID 167814107
methyl 5-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxylate
CID 115422266
[2-(5-ethylfuran-2-yl)-1,3-thiazol-5-yl]methanamine
CID 62347401
2-(5-methylfuran-2-yl)-5-[(2-pyridin-4-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 120910331

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).