[(1R)-1-(1,3-thiazol-2-yl)ethyl] 2-(5-methylfuran-2-yl)acetate

C12H13NO3S — CID 97246914

IUPAC[(1R)-1-(1,3-thiazol-2-yl)ethyl] 2-(5-methylfuran-2-yl)acetate
SMILESCc1ccc(CC(=O)O[C@H](C)c2nccs2)o1
InChIInChI=1S/C12H13NO3S/c1-8-3-4-10(15-8)7-11(14)16-9(2)12-13-5-6-17-12/h3-6,9H,7H2,1-2H3/t9-/m1/s1
InChIKeyMLPUEAQDMHSXIS-SECBINFHSA-N
MW251.31 g/mol
LogP2.89
Rot. Bonds4

About [(1R)-1-(1,3-thiazol-2-yl)ethyl] 2-(5-methylfuran-2-yl)acetate

[(1R)-1-(1,3-thiazol-2-yl)ethyl] 2-(5-methylfuran-2-yl)acetate (PubChem CID 97246914) has the molecular formula C12H13NO3S and a molecular weight of 251.31 g/mol. Its IUPAC name is [(1R)-1-(1,3-thiazol-2-yl)ethyl] 2-(5-methylfuran-2-yl)acetate.

Molecular Properties

Compound Name[(1R)-1-(1,3-thiazol-2-yl)ethyl] 2-(5-methylfuran-2-yl)acetate
PubChem CID97246914
Molecular FormulaC12H13NO3S
Molecular Weight251.31 g/mol
Exact Mass251.06
IUPAC Name[(1R)-1-(1,3-thiazol-2-yl)ethyl] 2-(5-methylfuran-2-yl)acetate
SMILESCc1ccc(CC(=O)O[C@H](C)c2nccs2)o1
InChIInChI=1S/C12H13NO3S/c1-8-3-4-10(15-8)7-11(14)16-9(2)12-13-5-6-17-12/h3-6,9H,7H2,1-2H3/t9-/m1/s1
InChIKeyMLPUEAQDMHSXIS-SECBINFHSA-N
XLogP2.89
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(1,3-thiazol-2-yl)ethyl] 2-(5-methylfuran-2-yl)acetate?
The IUPAC name of [(1R)-1-(1,3-thiazol-2-yl)ethyl] 2-(5-methylfuran-2-yl)acetate (CID 97246914) is [(1R)-1-(1,3-thiazol-2-yl)ethyl] 2-(5-methylfuran-2-yl)acetate.
What is the SMILES notation for [(1R)-1-(1,3-thiazol-2-yl)ethyl] 2-(5-methylfuran-2-yl)acetate?
The canonical SMILES for [(1R)-1-(1,3-thiazol-2-yl)ethyl] 2-(5-methylfuran-2-yl)acetate is Cc1ccc(CC(=O)O[C@H](C)c2nccs2)o1.
What is the InChIKey of [(1R)-1-(1,3-thiazol-2-yl)ethyl] 2-(5-methylfuran-2-yl)acetate?
The InChIKey is MLPUEAQDMHSXIS-SECBINFHSA-N. The full InChI is InChI=1S/C12H13NO3S/c1-8-3-4-10(15-8)7-11(14)16-9(2)12-13-5-6-17-12/h3-6,9H,7H2,1-2H3/t9-/m1/s1.
What are the key properties of [(1R)-1-(1,3-thiazol-2-yl)ethyl] 2-(5-methylfuran-2-yl)acetate?
[(1R)-1-(1,3-thiazol-2-yl)ethyl] 2-(5-methylfuran-2-yl)acetate has a molecular weight of 251.31 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(1,3-thiazol-2-yl)ethyl] 2-(5-methylfuran-2-yl)acetate is sourced from PubChem (CID 97246914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).