2,9-diazaspiro[4.5]decan-2-yl(1,3-thiazol-4-yl)methanone

C12H17N3OS — CID 128924626

IUPAC2,9-diazaspiro[4.5]decan-2-yl(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1CCC2(CCCNC2)C1
InChIInChI=1S/C12H17N3OS/c16-11(10-6-17-9-14-10)15-5-3-12(8-15)2-1-4-13-7-12/h6,9,13H,1-5,7-8H2
InChIKeyRGQARLMUUBBMCY-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.36
Rot. Bonds1

About 2,9-diazaspiro[4.5]decan-2-yl(1,3-thiazol-4-yl)methanone

2,9-diazaspiro[4.5]decan-2-yl(1,3-thiazol-4-yl)methanone (PubChem CID 128924626) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is 2,9-diazaspiro[4.5]decan-2-yl(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name2,9-diazaspiro[4.5]decan-2-yl(1,3-thiazol-4-yl)methanone
PubChem CID128924626
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC Name2,9-diazaspiro[4.5]decan-2-yl(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1CCC2(CCCNC2)C1
InChIInChI=1S/C12H17N3OS/c16-11(10-6-17-9-14-10)15-5-3-12(8-15)2-1-4-13-7-12/h6,9,13H,1-5,7-8H2
InChIKeyRGQARLMUUBBMCY-UHFFFAOYSA-N
XLogP1.36
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,9-diazaspiro[4.5]decan-2-yl(1,3-thiazol-4-yl)methanone?
The IUPAC name of 2,9-diazaspiro[4.5]decan-2-yl(1,3-thiazol-4-yl)methanone (CID 128924626) is 2,9-diazaspiro[4.5]decan-2-yl(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for 2,9-diazaspiro[4.5]decan-2-yl(1,3-thiazol-4-yl)methanone?
The canonical SMILES for 2,9-diazaspiro[4.5]decan-2-yl(1,3-thiazol-4-yl)methanone is O=C(c1cscn1)N1CCC2(CCCNC2)C1.
What is the InChIKey of 2,9-diazaspiro[4.5]decan-2-yl(1,3-thiazol-4-yl)methanone?
The InChIKey is RGQARLMUUBBMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c16-11(10-6-17-9-14-10)15-5-3-12(8-15)2-1-4-13-7-12/h6,9,13H,1-5,7-8H2.
What are the key properties of 2,9-diazaspiro[4.5]decan-2-yl(1,3-thiazol-4-yl)methanone?
2,9-diazaspiro[4.5]decan-2-yl(1,3-thiazol-4-yl)methanone has a molecular weight of 251.35 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-diazaspiro[4.5]decan-2-yl(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 128924626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).