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

C15H23N3OS — CID 3234275

IUPAC1-[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone
SMILESCC(=O)N1CCC2(CCCN(Cc3nccs3)C2)CC1
InChIInChI=1S/C15H23N3OS/c1-13(19)18-8-4-15(5-9-18)3-2-7-17(12-15)11-14-16-6-10-20-14/h6,10H,2-5,7-9,11-12H2,1H3
InChIKeyGOPHAYWCOHAWPN-UHFFFAOYSA-N
MW293.44 g/mol
LogP2.37
Rot. Bonds2

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

1-[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone (PubChem CID 3234275) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is 1-[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone.

Molecular Properties

Compound Name1-[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone
PubChem CID3234275
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name1-[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone
SMILESCC(=O)N1CCC2(CCCN(Cc3nccs3)C2)CC1
InChIInChI=1S/C15H23N3OS/c1-13(19)18-8-4-15(5-9-18)3-2-7-17(12-15)11-14-16-6-10-20-14/h6,10H,2-5,7-9,11-12H2,1H3
InChIKeyGOPHAYWCOHAWPN-UHFFFAOYSA-N
XLogP2.37
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone?
The IUPAC name of 1-[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone (CID 3234275) is 1-[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone.
What is the SMILES notation for 1-[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone?
The canonical SMILES for 1-[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone is CC(=O)N1CCC2(CCCN(Cc3nccs3)C2)CC1.
What is the InChIKey of 1-[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone?
The InChIKey is GOPHAYWCOHAWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-13(19)18-8-4-15(5-9-18)3-2-7-17(12-15)11-14-16-6-10-20-14/h6,10H,2-5,7-9,11-12H2,1H3.
What are the key properties of 1-[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone?
1-[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone has a molecular weight of 293.44 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone is sourced from PubChem (CID 3234275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).