2-(1,3-thiazol-5-ylmethyl)-2-azaspiro[4.5]decan-3-one

C13H18N2OS — CID 72837203

IUPAC2-(1,3-thiazol-5-ylmethyl)-2-azaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCCCC2)CN1Cc1cncs1
InChIInChI=1S/C13H18N2OS/c16-12-6-13(4-2-1-3-5-13)9-15(12)8-11-7-14-10-17-11/h7,10H,1-6,8-9H2
InChIKeyCKESRDXXXPOAPE-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.83
Rot. Bonds2

About 2-(1,3-thiazol-5-ylmethyl)-2-azaspiro[4.5]decan-3-one

2-(1,3-thiazol-5-ylmethyl)-2-azaspiro[4.5]decan-3-one (PubChem CID 72837203) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is 2-(1,3-thiazol-5-ylmethyl)-2-azaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-(1,3-thiazol-5-ylmethyl)-2-azaspiro[4.5]decan-3-one
PubChem CID72837203
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name2-(1,3-thiazol-5-ylmethyl)-2-azaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCCCC2)CN1Cc1cncs1
InChIInChI=1S/C13H18N2OS/c16-12-6-13(4-2-1-3-5-13)9-15(12)8-11-7-14-10-17-11/h7,10H,1-6,8-9H2
InChIKeyCKESRDXXXPOAPE-UHFFFAOYSA-N
XLogP2.83
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-5-ylmethyl)-2-azaspiro[4.5]decan-3-one?
The IUPAC name of 2-(1,3-thiazol-5-ylmethyl)-2-azaspiro[4.5]decan-3-one (CID 72837203) is 2-(1,3-thiazol-5-ylmethyl)-2-azaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-(1,3-thiazol-5-ylmethyl)-2-azaspiro[4.5]decan-3-one?
The canonical SMILES for 2-(1,3-thiazol-5-ylmethyl)-2-azaspiro[4.5]decan-3-one is O=C1CC2(CCCCC2)CN1Cc1cncs1.
What is the InChIKey of 2-(1,3-thiazol-5-ylmethyl)-2-azaspiro[4.5]decan-3-one?
The InChIKey is CKESRDXXXPOAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c16-12-6-13(4-2-1-3-5-13)9-15(12)8-11-7-14-10-17-11/h7,10H,1-6,8-9H2.
What are the key properties of 2-(1,3-thiazol-5-ylmethyl)-2-azaspiro[4.5]decan-3-one?
2-(1,3-thiazol-5-ylmethyl)-2-azaspiro[4.5]decan-3-one has a molecular weight of 250.37 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-5-ylmethyl)-2-azaspiro[4.5]decan-3-one is sourced from PubChem (CID 72837203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).