N-benzyl-N-methyl-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine

C20H27N3OS — CID 118744094

IUPACN-benzyl-N-methyl-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine
SMILESCN(Cc1ccccc1)C1COC2(CCN(Cc3nccs3)CC2)C1
InChIInChI=1S/C20H27N3OS/c1-22(14-17-5-3-2-4-6-17)18-13-20(24-16-18)7-10-23(11-8-20)15-19-21-9-12-25-19/h2-6,9,12,18H,7-8,10-11,13-16H2,1H3
InChIKeyWIURPJCWKQABRS-UHFFFAOYSA-N
MW357.52 g/mol
LogP3.40
Rot. Bonds5

About N-benzyl-N-methyl-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine

N-benzyl-N-methyl-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine (PubChem CID 118744094) has the molecular formula C20H27N3OS and a molecular weight of 357.52 g/mol. Its IUPAC name is N-benzyl-N-methyl-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine.

Molecular Properties

Compound NameN-benzyl-N-methyl-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine
PubChem CID118744094
Molecular FormulaC20H27N3OS
Molecular Weight357.52 g/mol
Exact Mass357.19
IUPAC NameN-benzyl-N-methyl-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine
SMILESCN(Cc1ccccc1)C1COC2(CCN(Cc3nccs3)CC2)C1
InChIInChI=1S/C20H27N3OS/c1-22(14-17-5-3-2-4-6-17)18-13-20(24-16-18)7-10-23(11-8-20)15-19-21-9-12-25-19/h2-6,9,12,18H,7-8,10-11,13-16H2,1H3
InChIKeyWIURPJCWKQABRS-UHFFFAOYSA-N
XLogP3.40
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.52
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine?
The IUPAC name of N-benzyl-N-methyl-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine (CID 118744094) is N-benzyl-N-methyl-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine.
What is the SMILES notation for N-benzyl-N-methyl-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine?
The canonical SMILES for N-benzyl-N-methyl-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine is CN(Cc1ccccc1)C1COC2(CCN(Cc3nccs3)CC2)C1.
What is the InChIKey of N-benzyl-N-methyl-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine?
The InChIKey is WIURPJCWKQABRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3OS/c1-22(14-17-5-3-2-4-6-17)18-13-20(24-16-18)7-10-23(11-8-20)15-19-21-9-12-25-19/h2-6,9,12,18H,7-8,10-11,13-16H2,1H3.
What are the key properties of N-benzyl-N-methyl-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine?
N-benzyl-N-methyl-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine has a molecular weight of 357.52 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-8-(1,3-thiazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-amine is sourced from PubChem (CID 118744094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).