6-oxa-9-azaspiro[4.5]decan-9-yl-(2-phenyl-1,3-thiazol-5-yl)methanone

C18H20N2O2S — CID 71847415

IUPAC6-oxa-9-azaspiro[4.5]decan-9-yl-(2-phenyl-1,3-thiazol-5-yl)methanone
SMILESO=C(c1cnc(-c2ccccc2)s1)N1CCOC2(CCCC2)C1
InChIInChI=1S/C18H20N2O2S/c21-17(20-10-11-22-18(13-20)8-4-5-9-18)15-12-19-16(23-15)14-6-2-1-3-7-14/h1-3,6-7,12H,4-5,8-11,13H2
InChIKeyLXXXKWAGXPOCGQ-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.60
Rot. Bonds2

About 6-oxa-9-azaspiro[4.5]decan-9-yl-(2-phenyl-1,3-thiazol-5-yl)methanone

6-oxa-9-azaspiro[4.5]decan-9-yl-(2-phenyl-1,3-thiazol-5-yl)methanone (PubChem CID 71847415) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is 6-oxa-9-azaspiro[4.5]decan-9-yl-(2-phenyl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name6-oxa-9-azaspiro[4.5]decan-9-yl-(2-phenyl-1,3-thiazol-5-yl)methanone
PubChem CID71847415
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC Name6-oxa-9-azaspiro[4.5]decan-9-yl-(2-phenyl-1,3-thiazol-5-yl)methanone
SMILESO=C(c1cnc(-c2ccccc2)s1)N1CCOC2(CCCC2)C1
InChIInChI=1S/C18H20N2O2S/c21-17(20-10-11-22-18(13-20)8-4-5-9-18)15-12-19-16(23-15)14-6-2-1-3-7-14/h1-3,6-7,12H,4-5,8-11,13H2
InChIKeyLXXXKWAGXPOCGQ-UHFFFAOYSA-N
XLogP3.60
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-oxa-9-azaspiro[4.5]decan-9-yl-(2-phenyl-1,3-thiazol-5-yl)methanone?
The IUPAC name of 6-oxa-9-azaspiro[4.5]decan-9-yl-(2-phenyl-1,3-thiazol-5-yl)methanone (CID 71847415) is 6-oxa-9-azaspiro[4.5]decan-9-yl-(2-phenyl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for 6-oxa-9-azaspiro[4.5]decan-9-yl-(2-phenyl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for 6-oxa-9-azaspiro[4.5]decan-9-yl-(2-phenyl-1,3-thiazol-5-yl)methanone is O=C(c1cnc(-c2ccccc2)s1)N1CCOC2(CCCC2)C1.
What is the InChIKey of 6-oxa-9-azaspiro[4.5]decan-9-yl-(2-phenyl-1,3-thiazol-5-yl)methanone?
The InChIKey is LXXXKWAGXPOCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c21-17(20-10-11-22-18(13-20)8-4-5-9-18)15-12-19-16(23-15)14-6-2-1-3-7-14/h1-3,6-7,12H,4-5,8-11,13H2.
What are the key properties of 6-oxa-9-azaspiro[4.5]decan-9-yl-(2-phenyl-1,3-thiazol-5-yl)methanone?
6-oxa-9-azaspiro[4.5]decan-9-yl-(2-phenyl-1,3-thiazol-5-yl)methanone has a molecular weight of 328.44 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxa-9-azaspiro[4.5]decan-9-yl-(2-phenyl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 71847415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).