2-(7-cyano-1-oxa-8-azaspiro[5.5]undecan-8-yl)-N-methyl-N-(1,3-thiazol-2-yl)acetamide

C16H22N4O2S — CID 119036801

IUPAC2-(7-cyano-1-oxa-8-azaspiro[5.5]undecan-8-yl)-N-methyl-N-(1,3-thiazol-2-yl)acetamide
SMILESCN(C(=O)CN1CCCC2(CCCCO2)C1C#N)c1nccs1
InChIInChI=1S/C16H22N4O2S/c1-19(15-18-7-10-23-15)14(21)12-20-8-4-6-16(13(20)11-17)5-2-3-9-22-16/h7,10,13H,2-6,8-9,12H2,1H3
InChIKeyXGRDZYDTPADKIE-UHFFFAOYSA-N
MW334.45 g/mol
LogP2.03
Rot. Bonds3

About 2-(7-cyano-1-oxa-8-azaspiro[5.5]undecan-8-yl)-N-methyl-N-(1,3-thiazol-2-yl)acetamide

2-(7-cyano-1-oxa-8-azaspiro[5.5]undecan-8-yl)-N-methyl-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 119036801) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is 2-(7-cyano-1-oxa-8-azaspiro[5.5]undecan-8-yl)-N-methyl-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(7-cyano-1-oxa-8-azaspiro[5.5]undecan-8-yl)-N-methyl-N-(1,3-thiazol-2-yl)acetamide
PubChem CID119036801
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC Name2-(7-cyano-1-oxa-8-azaspiro[5.5]undecan-8-yl)-N-methyl-N-(1,3-thiazol-2-yl)acetamide
SMILESCN(C(=O)CN1CCCC2(CCCCO2)C1C#N)c1nccs1
InChIInChI=1S/C16H22N4O2S/c1-19(15-18-7-10-23-15)14(21)12-20-8-4-6-16(13(20)11-17)5-2-3-9-22-16/h7,10,13H,2-6,8-9,12H2,1H3
InChIKeyXGRDZYDTPADKIE-UHFFFAOYSA-N
XLogP2.03
TPSA69.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(7-cyano-1-oxa-8-azaspiro[5.5]undecan-8-yl)-N-methyl-N-(1,3-thiazol-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(7-cyano-1-oxa-8-azaspiro[5.5]undecan-8-yl)-N-methyl-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(7-cyano-1-oxa-8-azaspiro[5.5]undecan-8-yl)-N-methyl-N-(1,3-thiazol-2-yl)acetamide (CID 119036801) is 2-(7-cyano-1-oxa-8-azaspiro[5.5]undecan-8-yl)-N-methyl-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(7-cyano-1-oxa-8-azaspiro[5.5]undecan-8-yl)-N-methyl-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(7-cyano-1-oxa-8-azaspiro[5.5]undecan-8-yl)-N-methyl-N-(1,3-thiazol-2-yl)acetamide is CN(C(=O)CN1CCCC2(CCCCO2)C1C#N)c1nccs1.
What is the InChIKey of 2-(7-cyano-1-oxa-8-azaspiro[5.5]undecan-8-yl)-N-methyl-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is XGRDZYDTPADKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c1-19(15-18-7-10-23-15)14(21)12-20-8-4-6-16(13(20)11-17)5-2-3-9-22-16/h7,10,13H,2-6,8-9,12H2,1H3.
What are the key properties of 2-(7-cyano-1-oxa-8-azaspiro[5.5]undecan-8-yl)-N-methyl-N-(1,3-thiazol-2-yl)acetamide?
2-(7-cyano-1-oxa-8-azaspiro[5.5]undecan-8-yl)-N-methyl-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 334.45 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-cyano-1-oxa-8-azaspiro[5.5]undecan-8-yl)-N-methyl-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 119036801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).