1-[2-(8-azaspiro[4.5]decan-8-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine

C16H27N3S — CID 63161416

IUPAC1-[2-(8-azaspiro[4.5]decan-8-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
SMILESCNC(C)c1sc(N2CCC3(CCCC3)CC2)nc1C
InChIInChI=1S/C16H27N3S/c1-12(17-3)14-13(2)18-15(20-14)19-10-8-16(9-11-19)6-4-5-7-16/h12,17H,4-11H2,1-3H3
InChIKeyHASWJSCCKZUPAE-UHFFFAOYSA-N
MW293.48 g/mol
LogP3.89
Rot. Bonds3

About 1-[2-(8-azaspiro[4.5]decan-8-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine

1-[2-(8-azaspiro[4.5]decan-8-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine (PubChem CID 63161416) has the molecular formula C16H27N3S and a molecular weight of 293.48 g/mol. Its IUPAC name is 1-[2-(8-azaspiro[4.5]decan-8-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-(8-azaspiro[4.5]decan-8-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
PubChem CID63161416
Molecular FormulaC16H27N3S
Molecular Weight293.48 g/mol
Exact Mass293.19
IUPAC Name1-[2-(8-azaspiro[4.5]decan-8-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine
SMILESCNC(C)c1sc(N2CCC3(CCCC3)CC2)nc1C
InChIInChI=1S/C16H27N3S/c1-12(17-3)14-13(2)18-15(20-14)19-10-8-16(9-11-19)6-4-5-7-16/h12,17H,4-11H2,1-3H3
InChIKeyHASWJSCCKZUPAE-UHFFFAOYSA-N
XLogP3.89
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(8-azaspiro[4.5]decan-8-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine?
The IUPAC name of 1-[2-(8-azaspiro[4.5]decan-8-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine (CID 63161416) is 1-[2-(8-azaspiro[4.5]decan-8-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine.
What is the SMILES notation for 1-[2-(8-azaspiro[4.5]decan-8-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine?
The canonical SMILES for 1-[2-(8-azaspiro[4.5]decan-8-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine is CNC(C)c1sc(N2CCC3(CCCC3)CC2)nc1C.
What is the InChIKey of 1-[2-(8-azaspiro[4.5]decan-8-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine?
The InChIKey is HASWJSCCKZUPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3S/c1-12(17-3)14-13(2)18-15(20-14)19-10-8-16(9-11-19)6-4-5-7-16/h12,17H,4-11H2,1-3H3.
What are the key properties of 1-[2-(8-azaspiro[4.5]decan-8-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine?
1-[2-(8-azaspiro[4.5]decan-8-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine has a molecular weight of 293.48 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(8-azaspiro[4.5]decan-8-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylethanamine is sourced from PubChem (CID 63161416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).