1-[3-(methoxymethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]ethanone

C17H27N3O2S — CID 118742785

IUPAC1-[3-(methoxymethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]ethanone
SMILESCOCC1CC2(CCN(C(C)=O)CC2)CN1Cc1csc(C)n1
InChIInChI=1S/C17H27N3O2S/c1-13-18-15(11-23-13)9-20-12-17(8-16(20)10-22-3)4-6-19(7-5-17)14(2)21/h11,16H,4-10,12H2,1-3H3
InChIKeyDRZKAMRYTZXBOC-UHFFFAOYSA-N
MW337.49 g/mol
LogP2.30
Rot. Bonds4

About 1-[3-(methoxymethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]ethanone

1-[3-(methoxymethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]ethanone (PubChem CID 118742785) has the molecular formula C17H27N3O2S and a molecular weight of 337.49 g/mol. Its IUPAC name is 1-[3-(methoxymethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]ethanone.

Molecular Properties

Compound Name1-[3-(methoxymethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]ethanone
PubChem CID118742785
Molecular FormulaC17H27N3O2S
Molecular Weight337.49 g/mol
Exact Mass337.18
IUPAC Name1-[3-(methoxymethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]ethanone
SMILESCOCC1CC2(CCN(C(C)=O)CC2)CN1Cc1csc(C)n1
InChIInChI=1S/C17H27N3O2S/c1-13-18-15(11-23-13)9-20-12-17(8-16(20)10-22-3)4-6-19(7-5-17)14(2)21/h11,16H,4-10,12H2,1-3H3
InChIKeyDRZKAMRYTZXBOC-UHFFFAOYSA-N
XLogP2.30
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(methoxymethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]ethanone?
The IUPAC name of 1-[3-(methoxymethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]ethanone (CID 118742785) is 1-[3-(methoxymethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]ethanone.
What is the SMILES notation for 1-[3-(methoxymethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]ethanone?
The canonical SMILES for 1-[3-(methoxymethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]ethanone is COCC1CC2(CCN(C(C)=O)CC2)CN1Cc1csc(C)n1.
What is the InChIKey of 1-[3-(methoxymethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]ethanone?
The InChIKey is DRZKAMRYTZXBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2S/c1-13-18-15(11-23-13)9-20-12-17(8-16(20)10-22-3)4-6-19(7-5-17)14(2)21/h11,16H,4-10,12H2,1-3H3.
What are the key properties of 1-[3-(methoxymethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]ethanone?
1-[3-(methoxymethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]ethanone has a molecular weight of 337.49 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methoxymethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]ethanone is sourced from PubChem (CID 118742785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).