4-[[(3-ethoxyspiro[3.4]octan-1-yl)amino]methyl]-3H-1,3-thiazol-2-one

C14H22N2O2S — CID 106380437

IUPAC4-[[(3-ethoxyspiro[3.4]octan-1-yl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCCOC1CC(NCc2csc(=O)[nH]2)C12CCCC2
InChIInChI=1S/C14H22N2O2S/c1-2-18-12-7-11(14(12)5-3-4-6-14)15-8-10-9-19-13(17)16-10/h9,11-12,15H,2-8H2,1H3,(H,16,17)
InChIKeyWUKSOKUCKOUVMJ-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.26
Rot. Bonds5

About 4-[[(3-ethoxyspiro[3.4]octan-1-yl)amino]methyl]-3H-1,3-thiazol-2-one

4-[[(3-ethoxyspiro[3.4]octan-1-yl)amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106380437) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 4-[[(3-ethoxyspiro[3.4]octan-1-yl)amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(3-ethoxyspiro[3.4]octan-1-yl)amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106380437
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name4-[[(3-ethoxyspiro[3.4]octan-1-yl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCCOC1CC(NCc2csc(=O)[nH]2)C12CCCC2
InChIInChI=1S/C14H22N2O2S/c1-2-18-12-7-11(14(12)5-3-4-6-14)15-8-10-9-19-13(17)16-10/h9,11-12,15H,2-8H2,1H3,(H,16,17)
InChIKeyWUKSOKUCKOUVMJ-UHFFFAOYSA-N
XLogP2.26
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(3-ethoxyspiro[3.4]octan-1-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(3-ethoxyspiro[3.4]octan-1-yl)amino]methyl]-3H-1,3-thiazol-2-one (CID 106380437) is 4-[[(3-ethoxyspiro[3.4]octan-1-yl)amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(3-ethoxyspiro[3.4]octan-1-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(3-ethoxyspiro[3.4]octan-1-yl)amino]methyl]-3H-1,3-thiazol-2-one is CCOC1CC(NCc2csc(=O)[nH]2)C12CCCC2.
What is the InChIKey of 4-[[(3-ethoxyspiro[3.4]octan-1-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is WUKSOKUCKOUVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-2-18-12-7-11(14(12)5-3-4-6-14)15-8-10-9-19-13(17)16-10/h9,11-12,15H,2-8H2,1H3,(H,16,17).
What are the key properties of 4-[[(3-ethoxyspiro[3.4]octan-1-yl)amino]methyl]-3H-1,3-thiazol-2-one?
4-[[(3-ethoxyspiro[3.4]octan-1-yl)amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 282.41 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-ethoxyspiro[3.4]octan-1-yl)amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106380437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).