4-[[(3-ethoxyspiro[3.5]nonan-1-yl)amino]methyl]-3H-1,3-thiazol-2-one

C15H24N2O2S — CID 106379702

IUPAC4-[[(3-ethoxyspiro[3.5]nonan-1-yl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCCOC1CC(NCc2csc(=O)[nH]2)C12CCCCC2
InChIInChI=1S/C15H24N2O2S/c1-2-19-13-8-12(15(13)6-4-3-5-7-15)16-9-11-10-20-14(18)17-11/h10,12-13,16H,2-9H2,1H3,(H,17,18)
InChIKeyXFKZMGZIGGCEHV-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.65
Rot. Bonds5

About 4-[[(3-ethoxyspiro[3.5]nonan-1-yl)amino]methyl]-3H-1,3-thiazol-2-one

4-[[(3-ethoxyspiro[3.5]nonan-1-yl)amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106379702) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 4-[[(3-ethoxyspiro[3.5]nonan-1-yl)amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(3-ethoxyspiro[3.5]nonan-1-yl)amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106379702
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name4-[[(3-ethoxyspiro[3.5]nonan-1-yl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCCOC1CC(NCc2csc(=O)[nH]2)C12CCCCC2
InChIInChI=1S/C15H24N2O2S/c1-2-19-13-8-12(15(13)6-4-3-5-7-15)16-9-11-10-20-14(18)17-11/h10,12-13,16H,2-9H2,1H3,(H,17,18)
InChIKeyXFKZMGZIGGCEHV-UHFFFAOYSA-N
XLogP2.65
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(3-ethoxyspiro[3.5]nonan-1-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(3-ethoxyspiro[3.5]nonan-1-yl)amino]methyl]-3H-1,3-thiazol-2-one (CID 106379702) is 4-[[(3-ethoxyspiro[3.5]nonan-1-yl)amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(3-ethoxyspiro[3.5]nonan-1-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(3-ethoxyspiro[3.5]nonan-1-yl)amino]methyl]-3H-1,3-thiazol-2-one is CCOC1CC(NCc2csc(=O)[nH]2)C12CCCCC2.
What is the InChIKey of 4-[[(3-ethoxyspiro[3.5]nonan-1-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is XFKZMGZIGGCEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-2-19-13-8-12(15(13)6-4-3-5-7-15)16-9-11-10-20-14(18)17-11/h10,12-13,16H,2-9H2,1H3,(H,17,18).
What are the key properties of 4-[[(3-ethoxyspiro[3.5]nonan-1-yl)amino]methyl]-3H-1,3-thiazol-2-one?
4-[[(3-ethoxyspiro[3.5]nonan-1-yl)amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 296.44 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-ethoxyspiro[3.5]nonan-1-yl)amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106379702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).