5-azaspiro[2.3]hexan-5-yl-(2-tert-butyl-1,3-thiazol-5-yl)methanone

C13H18N2OS — CID 166235745

IUPAC5-azaspiro[2.3]hexan-5-yl-(2-tert-butyl-1,3-thiazol-5-yl)methanone
SMILESCC(C)(C)c1ncc(C(=O)N2CC3(CC3)C2)s1
InChIInChI=1S/C13H18N2OS/c1-12(2,3)11-14-6-9(17-11)10(16)15-7-13(8-15)4-5-13/h6H,4-5,7-8H2,1-3H3
InChIKeyWLXFLTGIIHCWSU-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.68
Rot. Bonds1

About 5-azaspiro[2.3]hexan-5-yl-(2-tert-butyl-1,3-thiazol-5-yl)methanone

5-azaspiro[2.3]hexan-5-yl-(2-tert-butyl-1,3-thiazol-5-yl)methanone (PubChem CID 166235745) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is 5-azaspiro[2.3]hexan-5-yl-(2-tert-butyl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name5-azaspiro[2.3]hexan-5-yl-(2-tert-butyl-1,3-thiazol-5-yl)methanone
PubChem CID166235745
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name5-azaspiro[2.3]hexan-5-yl-(2-tert-butyl-1,3-thiazol-5-yl)methanone
SMILESCC(C)(C)c1ncc(C(=O)N2CC3(CC3)C2)s1
InChIInChI=1S/C13H18N2OS/c1-12(2,3)11-14-6-9(17-11)10(16)15-7-13(8-15)4-5-13/h6H,4-5,7-8H2,1-3H3
InChIKeyWLXFLTGIIHCWSU-UHFFFAOYSA-N
XLogP2.68
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-azaspiro[2.3]hexan-5-yl-(2-tert-butyl-1,3-thiazol-5-yl)methanone?
The IUPAC name of 5-azaspiro[2.3]hexan-5-yl-(2-tert-butyl-1,3-thiazol-5-yl)methanone (CID 166235745) is 5-azaspiro[2.3]hexan-5-yl-(2-tert-butyl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for 5-azaspiro[2.3]hexan-5-yl-(2-tert-butyl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for 5-azaspiro[2.3]hexan-5-yl-(2-tert-butyl-1,3-thiazol-5-yl)methanone is CC(C)(C)c1ncc(C(=O)N2CC3(CC3)C2)s1.
What is the InChIKey of 5-azaspiro[2.3]hexan-5-yl-(2-tert-butyl-1,3-thiazol-5-yl)methanone?
The InChIKey is WLXFLTGIIHCWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c1-12(2,3)11-14-6-9(17-11)10(16)15-7-13(8-15)4-5-13/h6H,4-5,7-8H2,1-3H3.
What are the key properties of 5-azaspiro[2.3]hexan-5-yl-(2-tert-butyl-1,3-thiazol-5-yl)methanone?
5-azaspiro[2.3]hexan-5-yl-(2-tert-butyl-1,3-thiazol-5-yl)methanone has a molecular weight of 250.37 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-azaspiro[2.3]hexan-5-yl-(2-tert-butyl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 166235745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).