N-methyl-N-(pyridin-3-ylmethyl)-1-[6-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-yl]methanamine

C19H26N4S — CID 118739058

IUPACN-methyl-N-(pyridin-3-ylmethyl)-1-[6-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-yl]methanamine
SMILESCN(Cc1cccnc1)CC1CC12CCN(Cc1nccs1)CC2
InChIInChI=1S/C19H26N4S/c1-22(13-16-3-2-6-20-12-16)14-17-11-19(17)4-8-23(9-5-19)15-18-21-7-10-24-18/h2-3,6-7,10,12,17H,4-5,8-9,11,13-15H2,1H3
InChIKeyYFOJHPXRILZTBA-UHFFFAOYSA-N
MW342.51 g/mol
LogP3.27
Rot. Bonds6

About N-methyl-N-(pyridin-3-ylmethyl)-1-[6-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-yl]methanamine

N-methyl-N-(pyridin-3-ylmethyl)-1-[6-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-yl]methanamine (PubChem CID 118739058) has the molecular formula C19H26N4S and a molecular weight of 342.51 g/mol. Its IUPAC name is N-methyl-N-(pyridin-3-ylmethyl)-1-[6-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-N-(pyridin-3-ylmethyl)-1-[6-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-yl]methanamine
PubChem CID118739058
Molecular FormulaC19H26N4S
Molecular Weight342.51 g/mol
Exact Mass342.19
IUPAC NameN-methyl-N-(pyridin-3-ylmethyl)-1-[6-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-yl]methanamine
SMILESCN(Cc1cccnc1)CC1CC12CCN(Cc1nccs1)CC2
InChIInChI=1S/C19H26N4S/c1-22(13-16-3-2-6-20-12-16)14-17-11-19(17)4-8-23(9-5-19)15-18-21-7-10-24-18/h2-3,6-7,10,12,17H,4-5,8-9,11,13-15H2,1H3
InChIKeyYFOJHPXRILZTBA-UHFFFAOYSA-N
XLogP3.27
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(pyridin-3-ylmethyl)-1-[6-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-yl]methanamine?
The IUPAC name of N-methyl-N-(pyridin-3-ylmethyl)-1-[6-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-yl]methanamine (CID 118739058) is N-methyl-N-(pyridin-3-ylmethyl)-1-[6-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-yl]methanamine.
What is the SMILES notation for N-methyl-N-(pyridin-3-ylmethyl)-1-[6-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-yl]methanamine?
The canonical SMILES for N-methyl-N-(pyridin-3-ylmethyl)-1-[6-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-yl]methanamine is CN(Cc1cccnc1)CC1CC12CCN(Cc1nccs1)CC2.
What is the InChIKey of N-methyl-N-(pyridin-3-ylmethyl)-1-[6-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-yl]methanamine?
The InChIKey is YFOJHPXRILZTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4S/c1-22(13-16-3-2-6-20-12-16)14-17-11-19(17)4-8-23(9-5-19)15-18-21-7-10-24-18/h2-3,6-7,10,12,17H,4-5,8-9,11,13-15H2,1H3.
What are the key properties of N-methyl-N-(pyridin-3-ylmethyl)-1-[6-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-yl]methanamine?
N-methyl-N-(pyridin-3-ylmethyl)-1-[6-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-yl]methanamine has a molecular weight of 342.51 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(pyridin-3-ylmethyl)-1-[6-(1,3-thiazol-2-ylmethyl)-6-azaspiro[2.5]octan-2-yl]methanamine is sourced from PubChem (CID 118739058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).