1-(2-methoxyethyl)-8-(1,3-thiazol-2-ylmethylamino)-1-azaspiro[4.5]decan-2-one

C16H25N3O2S — CID 97397424

IUPAC1-(2-methoxyethyl)-8-(1,3-thiazol-2-ylmethylamino)-1-azaspiro[4.5]decan-2-one
SMILESCOCCN1C(=O)CCC12CCC(NCc1nccs1)CC2
InChIInChI=1S/C16H25N3O2S/c1-21-10-9-19-15(20)4-7-16(19)5-2-13(3-6-16)18-12-14-17-8-11-22-14/h8,11,13,18H,2-7,9-10,12H2,1H3
InChIKeyUMVVZQSHAOLSBM-UHFFFAOYSA-N
MW323.46 g/mol
LogP2.18
Rot. Bonds6

About 1-(2-methoxyethyl)-8-(1,3-thiazol-2-ylmethylamino)-1-azaspiro[4.5]decan-2-one

1-(2-methoxyethyl)-8-(1,3-thiazol-2-ylmethylamino)-1-azaspiro[4.5]decan-2-one (PubChem CID 97397424) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-8-(1,3-thiazol-2-ylmethylamino)-1-azaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-(2-methoxyethyl)-8-(1,3-thiazol-2-ylmethylamino)-1-azaspiro[4.5]decan-2-one
PubChem CID97397424
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC Name1-(2-methoxyethyl)-8-(1,3-thiazol-2-ylmethylamino)-1-azaspiro[4.5]decan-2-one
SMILESCOCCN1C(=O)CCC12CCC(NCc1nccs1)CC2
InChIInChI=1S/C16H25N3O2S/c1-21-10-9-19-15(20)4-7-16(19)5-2-13(3-6-16)18-12-14-17-8-11-22-14/h8,11,13,18H,2-7,9-10,12H2,1H3
InChIKeyUMVVZQSHAOLSBM-UHFFFAOYSA-N
XLogP2.18
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-8-(1,3-thiazol-2-ylmethylamino)-1-azaspiro[4.5]decan-2-one?
The IUPAC name of 1-(2-methoxyethyl)-8-(1,3-thiazol-2-ylmethylamino)-1-azaspiro[4.5]decan-2-one (CID 97397424) is 1-(2-methoxyethyl)-8-(1,3-thiazol-2-ylmethylamino)-1-azaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-(2-methoxyethyl)-8-(1,3-thiazol-2-ylmethylamino)-1-azaspiro[4.5]decan-2-one?
The canonical SMILES for 1-(2-methoxyethyl)-8-(1,3-thiazol-2-ylmethylamino)-1-azaspiro[4.5]decan-2-one is COCCN1C(=O)CCC12CCC(NCc1nccs1)CC2.
What is the InChIKey of 1-(2-methoxyethyl)-8-(1,3-thiazol-2-ylmethylamino)-1-azaspiro[4.5]decan-2-one?
The InChIKey is UMVVZQSHAOLSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2S/c1-21-10-9-19-15(20)4-7-16(19)5-2-13(3-6-16)18-12-14-17-8-11-22-14/h8,11,13,18H,2-7,9-10,12H2,1H3.
What are the key properties of 1-(2-methoxyethyl)-8-(1,3-thiazol-2-ylmethylamino)-1-azaspiro[4.5]decan-2-one?
1-(2-methoxyethyl)-8-(1,3-thiazol-2-ylmethylamino)-1-azaspiro[4.5]decan-2-one has a molecular weight of 323.46 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-8-(1,3-thiazol-2-ylmethylamino)-1-azaspiro[4.5]decan-2-one is sourced from PubChem (CID 97397424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).