(1-ethoxyspiro[3.4]octan-3-yl) 2-methyl-1,3-thiazole-4-carboxylate

C15H21NO3S — CID 71874302

IUPAC(1-ethoxyspiro[3.4]octan-3-yl) 2-methyl-1,3-thiazole-4-carboxylate
SMILESCCOC1CC(OC(=O)c2csc(C)n2)C12CCCC2
InChIInChI=1S/C15H21NO3S/c1-3-18-12-8-13(15(12)6-4-5-7-15)19-14(17)11-9-20-10(2)16-11/h9,12-13H,3-8H2,1-2H3
InChIKeyDMWVIGLCNJUITJ-UHFFFAOYSA-N
MW295.40 g/mol
LogP3.35
Rot. Bonds4

About (1-ethoxyspiro[3.4]octan-3-yl) 2-methyl-1,3-thiazole-4-carboxylate

(1-ethoxyspiro[3.4]octan-3-yl) 2-methyl-1,3-thiazole-4-carboxylate (PubChem CID 71874302) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is (1-ethoxyspiro[3.4]octan-3-yl) 2-methyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name(1-ethoxyspiro[3.4]octan-3-yl) 2-methyl-1,3-thiazole-4-carboxylate
PubChem CID71874302
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Name(1-ethoxyspiro[3.4]octan-3-yl) 2-methyl-1,3-thiazole-4-carboxylate
SMILESCCOC1CC(OC(=O)c2csc(C)n2)C12CCCC2
InChIInChI=1S/C15H21NO3S/c1-3-18-12-8-13(15(12)6-4-5-7-15)19-14(17)11-9-20-10(2)16-11/h9,12-13H,3-8H2,1-2H3
InChIKeyDMWVIGLCNJUITJ-UHFFFAOYSA-N
XLogP3.35
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-ethoxyspiro[3.4]octan-3-yl) 2-methyl-1,3-thiazole-4-carboxylate?
The IUPAC name of (1-ethoxyspiro[3.4]octan-3-yl) 2-methyl-1,3-thiazole-4-carboxylate (CID 71874302) is (1-ethoxyspiro[3.4]octan-3-yl) 2-methyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for (1-ethoxyspiro[3.4]octan-3-yl) 2-methyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for (1-ethoxyspiro[3.4]octan-3-yl) 2-methyl-1,3-thiazole-4-carboxylate is CCOC1CC(OC(=O)c2csc(C)n2)C12CCCC2.
What is the InChIKey of (1-ethoxyspiro[3.4]octan-3-yl) 2-methyl-1,3-thiazole-4-carboxylate?
The InChIKey is DMWVIGLCNJUITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-3-18-12-8-13(15(12)6-4-5-7-15)19-14(17)11-9-20-10(2)16-11/h9,12-13H,3-8H2,1-2H3.
What are the key properties of (1-ethoxyspiro[3.4]octan-3-yl) 2-methyl-1,3-thiazole-4-carboxylate?
(1-ethoxyspiro[3.4]octan-3-yl) 2-methyl-1,3-thiazole-4-carboxylate has a molecular weight of 295.40 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxyspiro[3.4]octan-3-yl) 2-methyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 71874302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).