4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecane

C15H25N3OS — CID 123674582

IUPAC4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCC(C)c1nc(CN2CCOC3(CCNCC3)C2)cs1
InChIInChI=1S/C15H25N3OS/c1-12(2)14-17-13(10-20-14)9-18-7-8-19-15(11-18)3-5-16-6-4-15/h10,12,16H,3-9,11H2,1-2H3
InChIKeyUPZBIAXJJJPQLD-UHFFFAOYSA-N
MW295.45 g/mol
LogP2.22
Rot. Bonds3

About 4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecane

4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecane (PubChem CID 123674582) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is 4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecane
PubChem CID123674582
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC Name4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCC(C)c1nc(CN2CCOC3(CCNCC3)C2)cs1
InChIInChI=1S/C15H25N3OS/c1-12(2)14-17-13(10-20-14)9-18-7-8-19-15(11-18)3-5-16-6-4-15/h10,12,16H,3-9,11H2,1-2H3
InChIKeyUPZBIAXJJJPQLD-UHFFFAOYSA-N
XLogP2.22
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecane?
The IUPAC name of 4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecane (CID 123674582) is 4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecane?
The canonical SMILES for 4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecane is CC(C)c1nc(CN2CCOC3(CCNCC3)C2)cs1.
What is the InChIKey of 4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecane?
The InChIKey is UPZBIAXJJJPQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-12(2)14-17-13(10-20-14)9-18-7-8-19-15(11-18)3-5-16-6-4-15/h10,12,16H,3-9,11H2,1-2H3.
What are the key properties of 4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecane?
4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecane has a molecular weight of 295.45 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 123674582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).