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

C12H13NO3S — CID 75392065

IUPAC1-(1,3-thiazol-2-yl)ethyl 2-(5-methylfuran-2-yl)acetate
SMILESCc1ccc(CC(=O)OC(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
InChIKeyMLPUEAQDMHSXIS-UHFFFAOYSA-N
MW251.31 g/mol
LogP2.89
Rot. Bonds4

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

1-(1,3-thiazol-2-yl)ethyl 2-(5-methylfuran-2-yl)acetate (PubChem CID 75392065) has the molecular formula C12H13NO3S and a molecular weight of 251.31 g/mol. Its IUPAC name is 1-(1,3-thiazol-2-yl)ethyl 2-(5-methylfuran-2-yl)acetate.

Molecular Properties

Compound Name1-(1,3-thiazol-2-yl)ethyl 2-(5-methylfuran-2-yl)acetate
PubChem CID75392065
Molecular FormulaC12H13NO3S
Molecular Weight251.31 g/mol
Exact Mass251.06
IUPAC Name1-(1,3-thiazol-2-yl)ethyl 2-(5-methylfuran-2-yl)acetate
SMILESCc1ccc(CC(=O)OC(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
InChIKeyMLPUEAQDMHSXIS-UHFFFAOYSA-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 1-(1,3-thiazol-2-yl)ethyl 2-(5-methylfuran-2-yl)acetate?
The IUPAC name of 1-(1,3-thiazol-2-yl)ethyl 2-(5-methylfuran-2-yl)acetate (CID 75392065) is 1-(1,3-thiazol-2-yl)ethyl 2-(5-methylfuran-2-yl)acetate.
What is the SMILES notation for 1-(1,3-thiazol-2-yl)ethyl 2-(5-methylfuran-2-yl)acetate?
The canonical SMILES for 1-(1,3-thiazol-2-yl)ethyl 2-(5-methylfuran-2-yl)acetate is Cc1ccc(CC(=O)OC(C)c2nccs2)o1.
What is the InChIKey of 1-(1,3-thiazol-2-yl)ethyl 2-(5-methylfuran-2-yl)acetate?
The InChIKey is MLPUEAQDMHSXIS-UHFFFAOYSA-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.
What are the key properties of 1-(1,3-thiazol-2-yl)ethyl 2-(5-methylfuran-2-yl)acetate?
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 1-(1,3-thiazol-2-yl)ethyl 2-(5-methylfuran-2-yl)acetate is sourced from PubChem (CID 75392065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).