7-(oxan-4-yl)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one

C17H25N3O2S — CID 72913082

IUPAC7-(oxan-4-yl)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C1N(C2CCOCC2)CCCC12CCN(Cc1nccs1)C2
InChIInChI=1S/C17H25N3O2S/c21-16-17(4-1-7-20(16)14-2-9-22-10-3-14)5-8-19(13-17)12-15-18-6-11-23-15/h6,11,14H,1-5,7-10,12-13H2
InChIKeyBMAMZZAGBSHIHM-UHFFFAOYSA-N
MW335.47 g/mol
LogP2.14
Rot. Bonds3

About 7-(oxan-4-yl)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one

7-(oxan-4-yl)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72913082) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is 7-(oxan-4-yl)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-(oxan-4-yl)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72913082
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC Name7-(oxan-4-yl)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C1N(C2CCOCC2)CCCC12CCN(Cc1nccs1)C2
InChIInChI=1S/C17H25N3O2S/c21-16-17(4-1-7-20(16)14-2-9-22-10-3-14)5-8-19(13-17)12-15-18-6-11-23-15/h6,11,14H,1-5,7-10,12-13H2
InChIKeyBMAMZZAGBSHIHM-UHFFFAOYSA-N
XLogP2.14
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(oxan-4-yl)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-(oxan-4-yl)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one (CID 72913082) is 7-(oxan-4-yl)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-(oxan-4-yl)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-(oxan-4-yl)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one is O=C1N(C2CCOCC2)CCCC12CCN(Cc1nccs1)C2.
What is the InChIKey of 7-(oxan-4-yl)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is BMAMZZAGBSHIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S/c21-16-17(4-1-7-20(16)14-2-9-22-10-3-14)5-8-19(13-17)12-15-18-6-11-23-15/h6,11,14H,1-5,7-10,12-13H2.
What are the key properties of 7-(oxan-4-yl)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one?
7-(oxan-4-yl)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 335.47 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(oxan-4-yl)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72913082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).