8-(pyridin-2-ylmethyl)-N-(1,3-thiazol-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine

C17H22N4OS — CID 118744884

IUPAC8-(pyridin-2-ylmethyl)-N-(1,3-thiazol-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine
SMILESc1ccc(CN2CCC3(CC2)CC(Nc2nccs2)CO3)nc1
InChIInChI=1S/C17H22N4OS/c1-2-6-18-14(3-1)12-21-8-4-17(5-9-21)11-15(13-22-17)20-16-19-7-10-23-16/h1-3,6-7,10,15H,4-5,8-9,11-13H2,(H,19,20)
InChIKeyOPZVAVICIYMPDY-UHFFFAOYSA-N
MW330.46 g/mol
LogP2.77
Rot. Bonds4

About 8-(pyridin-2-ylmethyl)-N-(1,3-thiazol-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine

8-(pyridin-2-ylmethyl)-N-(1,3-thiazol-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine (PubChem CID 118744884) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is 8-(pyridin-2-ylmethyl)-N-(1,3-thiazol-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine.

Molecular Properties

Compound Name8-(pyridin-2-ylmethyl)-N-(1,3-thiazol-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine
PubChem CID118744884
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC Name8-(pyridin-2-ylmethyl)-N-(1,3-thiazol-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine
SMILESc1ccc(CN2CCC3(CC2)CC(Nc2nccs2)CO3)nc1
InChIInChI=1S/C17H22N4OS/c1-2-6-18-14(3-1)12-21-8-4-17(5-9-21)11-15(13-22-17)20-16-19-7-10-23-16/h1-3,6-7,10,15H,4-5,8-9,11-13H2,(H,19,20)
InChIKeyOPZVAVICIYMPDY-UHFFFAOYSA-N
XLogP2.77
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(pyridin-2-ylmethyl)-N-(1,3-thiazol-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine?
The IUPAC name of 8-(pyridin-2-ylmethyl)-N-(1,3-thiazol-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine (CID 118744884) is 8-(pyridin-2-ylmethyl)-N-(1,3-thiazol-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine.
What is the SMILES notation for 8-(pyridin-2-ylmethyl)-N-(1,3-thiazol-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine?
The canonical SMILES for 8-(pyridin-2-ylmethyl)-N-(1,3-thiazol-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine is c1ccc(CN2CCC3(CC2)CC(Nc2nccs2)CO3)nc1.
What is the InChIKey of 8-(pyridin-2-ylmethyl)-N-(1,3-thiazol-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine?
The InChIKey is OPZVAVICIYMPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-2-6-18-14(3-1)12-21-8-4-17(5-9-21)11-15(13-22-17)20-16-19-7-10-23-16/h1-3,6-7,10,15H,4-5,8-9,11-13H2,(H,19,20).
What are the key properties of 8-(pyridin-2-ylmethyl)-N-(1,3-thiazol-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine?
8-(pyridin-2-ylmethyl)-N-(1,3-thiazol-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine has a molecular weight of 330.46 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(pyridin-2-ylmethyl)-N-(1,3-thiazol-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine is sourced from PubChem (CID 118744884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).