1-[9-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-1-yl]ethanone

C15H23N3O2S — CID 97491920

IUPAC1-[9-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-1-yl]ethanone
SMILESCC(=O)N1CCOCC12CCN(Cc1csc(C)n1)CC2
InChIInChI=1S/C15H23N3O2S/c1-12-16-14(10-21-12)9-17-5-3-15(4-6-17)11-20-8-7-18(15)13(2)19/h10H,3-9,11H2,1-2H3
InChIKeyJPOKZISDTCFKDR-UHFFFAOYSA-N
MW309.43 g/mol
LogP1.66
Rot. Bonds2

About 1-[9-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-1-yl]ethanone

1-[9-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-1-yl]ethanone (PubChem CID 97491920) has the molecular formula C15H23N3O2S and a molecular weight of 309.43 g/mol. Its IUPAC name is 1-[9-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-1-yl]ethanone.

Molecular Properties

Compound Name1-[9-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-1-yl]ethanone
PubChem CID97491920
Molecular FormulaC15H23N3O2S
Molecular Weight309.43 g/mol
Exact Mass309.15
IUPAC Name1-[9-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-1-yl]ethanone
SMILESCC(=O)N1CCOCC12CCN(Cc1csc(C)n1)CC2
InChIInChI=1S/C15H23N3O2S/c1-12-16-14(10-21-12)9-17-5-3-15(4-6-17)11-20-8-7-18(15)13(2)19/h10H,3-9,11H2,1-2H3
InChIKeyJPOKZISDTCFKDR-UHFFFAOYSA-N
XLogP1.66
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[9-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-1-yl]ethanone?
The IUPAC name of 1-[9-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-1-yl]ethanone (CID 97491920) is 1-[9-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-1-yl]ethanone.
What is the SMILES notation for 1-[9-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-1-yl]ethanone?
The canonical SMILES for 1-[9-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-1-yl]ethanone is CC(=O)N1CCOCC12CCN(Cc1csc(C)n1)CC2.
What is the InChIKey of 1-[9-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-1-yl]ethanone?
The InChIKey is JPOKZISDTCFKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-12-16-14(10-21-12)9-17-5-3-15(4-6-17)11-20-8-7-18(15)13(2)19/h10H,3-9,11H2,1-2H3.
What are the key properties of 1-[9-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-1-yl]ethanone?
1-[9-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-1-yl]ethanone has a molecular weight of 309.43 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[9-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-1-yl]ethanone is sourced from PubChem (CID 97491920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).