N-benzyl-N-methyl-1-[2-(1,3-thiazol-2-ylmethyl)-6-oxa-2-azaspiro[3.4]octan-7-yl]methanamine

C19H25N3OS — CID 118738991

IUPACN-benzyl-N-methyl-1-[2-(1,3-thiazol-2-ylmethyl)-6-oxa-2-azaspiro[3.4]octan-7-yl]methanamine
SMILESCN(Cc1ccccc1)CC1CC2(CO1)CN(Cc1nccs1)C2
InChIInChI=1S/C19H25N3OS/c1-21(10-16-5-3-2-4-6-16)11-17-9-19(15-23-17)13-22(14-19)12-18-20-7-8-24-18/h2-8,17H,9-15H2,1H3
InChIKeyLRGBZQFXEANWJN-UHFFFAOYSA-N
MW343.50 g/mol
LogP2.87
Rot. Bonds6

About N-benzyl-N-methyl-1-[2-(1,3-thiazol-2-ylmethyl)-6-oxa-2-azaspiro[3.4]octan-7-yl]methanamine

N-benzyl-N-methyl-1-[2-(1,3-thiazol-2-ylmethyl)-6-oxa-2-azaspiro[3.4]octan-7-yl]methanamine (PubChem CID 118738991) has the molecular formula C19H25N3OS and a molecular weight of 343.50 g/mol. Its IUPAC name is N-benzyl-N-methyl-1-[2-(1,3-thiazol-2-ylmethyl)-6-oxa-2-azaspiro[3.4]octan-7-yl]methanamine.

Molecular Properties

Compound NameN-benzyl-N-methyl-1-[2-(1,3-thiazol-2-ylmethyl)-6-oxa-2-azaspiro[3.4]octan-7-yl]methanamine
PubChem CID118738991
Molecular FormulaC19H25N3OS
Molecular Weight343.50 g/mol
Exact Mass343.17
IUPAC NameN-benzyl-N-methyl-1-[2-(1,3-thiazol-2-ylmethyl)-6-oxa-2-azaspiro[3.4]octan-7-yl]methanamine
SMILESCN(Cc1ccccc1)CC1CC2(CO1)CN(Cc1nccs1)C2
InChIInChI=1S/C19H25N3OS/c1-21(10-16-5-3-2-4-6-16)11-17-9-19(15-23-17)13-22(14-19)12-18-20-7-8-24-18/h2-8,17H,9-15H2,1H3
InChIKeyLRGBZQFXEANWJN-UHFFFAOYSA-N
XLogP2.87
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-benzyl-N-methyl-1-[2-(1,3-thiazol-2-ylmethyl)-6-oxa-2-azaspiro[3.4]octan-7-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-1-[2-(1,3-thiazol-2-ylmethyl)-6-oxa-2-azaspiro[3.4]octan-7-yl]methanamine?
The IUPAC name of N-benzyl-N-methyl-1-[2-(1,3-thiazol-2-ylmethyl)-6-oxa-2-azaspiro[3.4]octan-7-yl]methanamine (CID 118738991) is N-benzyl-N-methyl-1-[2-(1,3-thiazol-2-ylmethyl)-6-oxa-2-azaspiro[3.4]octan-7-yl]methanamine.
What is the SMILES notation for N-benzyl-N-methyl-1-[2-(1,3-thiazol-2-ylmethyl)-6-oxa-2-azaspiro[3.4]octan-7-yl]methanamine?
The canonical SMILES for N-benzyl-N-methyl-1-[2-(1,3-thiazol-2-ylmethyl)-6-oxa-2-azaspiro[3.4]octan-7-yl]methanamine is CN(Cc1ccccc1)CC1CC2(CO1)CN(Cc1nccs1)C2.
What is the InChIKey of N-benzyl-N-methyl-1-[2-(1,3-thiazol-2-ylmethyl)-6-oxa-2-azaspiro[3.4]octan-7-yl]methanamine?
The InChIKey is LRGBZQFXEANWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3OS/c1-21(10-16-5-3-2-4-6-16)11-17-9-19(15-23-17)13-22(14-19)12-18-20-7-8-24-18/h2-8,17H,9-15H2,1H3.
What are the key properties of N-benzyl-N-methyl-1-[2-(1,3-thiazol-2-ylmethyl)-6-oxa-2-azaspiro[3.4]octan-7-yl]methanamine?
N-benzyl-N-methyl-1-[2-(1,3-thiazol-2-ylmethyl)-6-oxa-2-azaspiro[3.4]octan-7-yl]methanamine has a molecular weight of 343.50 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-1-[2-(1,3-thiazol-2-ylmethyl)-6-oxa-2-azaspiro[3.4]octan-7-yl]methanamine is sourced from PubChem (CID 118738991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).