ethyl 5-methyl-2-(1,4-oxathian-2-yl)-1,3-thiazole-4-carboxylate

C11H15NO3S2 — CID 116526300

IUPACethyl 5-methyl-2-(1,4-oxathian-2-yl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(C2CSCCO2)sc1C
InChIInChI=1S/C11H15NO3S2/c1-3-14-11(13)9-7(2)17-10(12-9)8-6-16-5-4-15-8/h8H,3-6H2,1-2H3
InChIKeyKNDKUHCBPQVQEF-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.43
Rot. Bonds3

About ethyl 5-methyl-2-(1,4-oxathian-2-yl)-1,3-thiazole-4-carboxylate

ethyl 5-methyl-2-(1,4-oxathian-2-yl)-1,3-thiazole-4-carboxylate (PubChem CID 116526300) has the molecular formula C11H15NO3S2 and a molecular weight of 273.38 g/mol. Its IUPAC name is ethyl 5-methyl-2-(1,4-oxathian-2-yl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-2-(1,4-oxathian-2-yl)-1,3-thiazole-4-carboxylate
PubChem CID116526300
Molecular FormulaC11H15NO3S2
Molecular Weight273.38 g/mol
Exact Mass273.05
IUPAC Nameethyl 5-methyl-2-(1,4-oxathian-2-yl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(C2CSCCO2)sc1C
InChIInChI=1S/C11H15NO3S2/c1-3-14-11(13)9-7(2)17-10(12-9)8-6-16-5-4-15-8/h8H,3-6H2,1-2H3
InChIKeyKNDKUHCBPQVQEF-UHFFFAOYSA-N
XLogP2.43
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-2-(1,4-oxathian-2-yl)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-methyl-2-(1,4-oxathian-2-yl)-1,3-thiazole-4-carboxylate (CID 116526300) is ethyl 5-methyl-2-(1,4-oxathian-2-yl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-methyl-2-(1,4-oxathian-2-yl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-methyl-2-(1,4-oxathian-2-yl)-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(C2CSCCO2)sc1C.
What is the InChIKey of ethyl 5-methyl-2-(1,4-oxathian-2-yl)-1,3-thiazole-4-carboxylate?
The InChIKey is KNDKUHCBPQVQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S2/c1-3-14-11(13)9-7(2)17-10(12-9)8-6-16-5-4-15-8/h8H,3-6H2,1-2H3.
What are the key properties of ethyl 5-methyl-2-(1,4-oxathian-2-yl)-1,3-thiazole-4-carboxylate?
ethyl 5-methyl-2-(1,4-oxathian-2-yl)-1,3-thiazole-4-carboxylate has a molecular weight of 273.38 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-2-(1,4-oxathian-2-yl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 116526300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).