3-(4-propan-2-yl-1,3-thiazol-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine

C15H24N4OS — CID 57486207

IUPAC3-(4-propan-2-yl-1,3-thiazol-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine
SMILESCC(C)c1csc(N2CC3(CN4CCC3CC4)OC2N)n1
InChIInChI=1S/C15H24N4OS/c1-10(2)12-7-21-14(17-12)19-9-15(20-13(19)16)8-18-5-3-11(15)4-6-18/h7,10-11,13H,3-6,8-9,16H2,1-2H3
InChIKeySCDYSZMHHIPHFT-UHFFFAOYSA-N
MW308.45 g/mol
LogP1.81
Rot. Bonds2

About 3-(4-propan-2-yl-1,3-thiazol-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine

3-(4-propan-2-yl-1,3-thiazol-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine (PubChem CID 57486207) has the molecular formula C15H24N4OS and a molecular weight of 308.45 g/mol. Its IUPAC name is 3-(4-propan-2-yl-1,3-thiazol-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine.

Molecular Properties

Compound Name3-(4-propan-2-yl-1,3-thiazol-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine
PubChem CID57486207
Molecular FormulaC15H24N4OS
Molecular Weight308.45 g/mol
Exact Mass308.17
IUPAC Name3-(4-propan-2-yl-1,3-thiazol-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine
SMILESCC(C)c1csc(N2CC3(CN4CCC3CC4)OC2N)n1
InChIInChI=1S/C15H24N4OS/c1-10(2)12-7-21-14(17-12)19-9-15(20-13(19)16)8-18-5-3-11(15)4-6-18/h7,10-11,13H,3-6,8-9,16H2,1-2H3
InChIKeySCDYSZMHHIPHFT-UHFFFAOYSA-N
XLogP1.81
TPSA54.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-propan-2-yl-1,3-thiazol-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine?
The IUPAC name of 3-(4-propan-2-yl-1,3-thiazol-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine (CID 57486207) is 3-(4-propan-2-yl-1,3-thiazol-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine.
What is the SMILES notation for 3-(4-propan-2-yl-1,3-thiazol-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine?
The canonical SMILES for 3-(4-propan-2-yl-1,3-thiazol-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine is CC(C)c1csc(N2CC3(CN4CCC3CC4)OC2N)n1.
What is the InChIKey of 3-(4-propan-2-yl-1,3-thiazol-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine?
The InChIKey is SCDYSZMHHIPHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4OS/c1-10(2)12-7-21-14(17-12)19-9-15(20-13(19)16)8-18-5-3-11(15)4-6-18/h7,10-11,13H,3-6,8-9,16H2,1-2H3.
What are the key properties of 3-(4-propan-2-yl-1,3-thiazol-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine?
3-(4-propan-2-yl-1,3-thiazol-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine has a molecular weight of 308.45 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propan-2-yl-1,3-thiazol-2-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine is sourced from PubChem (CID 57486207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).