6-methyl-9-phenyl-2-(1,3-thiazol-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one

C18H22N4OS — CID 118746372

IUPAC6-methyl-9-phenyl-2-(1,3-thiazol-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one
SMILESCN1CC(=O)N(c2ccccc2)CC12CCN(Cc1nccs1)C2
InChIInChI=1S/C18H22N4OS/c1-20-12-17(23)22(15-5-3-2-4-6-15)14-18(20)7-9-21(13-18)11-16-19-8-10-24-16/h2-6,8,10H,7,9,11-14H2,1H3
InChIKeyMYNSTECIPAKSGJ-UHFFFAOYSA-N
MW342.47 g/mol
LogP2.07
Rot. Bonds3

About 6-methyl-9-phenyl-2-(1,3-thiazol-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one

6-methyl-9-phenyl-2-(1,3-thiazol-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one (PubChem CID 118746372) has the molecular formula C18H22N4OS and a molecular weight of 342.47 g/mol. Its IUPAC name is 6-methyl-9-phenyl-2-(1,3-thiazol-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name6-methyl-9-phenyl-2-(1,3-thiazol-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one
PubChem CID118746372
Molecular FormulaC18H22N4OS
Molecular Weight342.47 g/mol
Exact Mass342.15
IUPAC Name6-methyl-9-phenyl-2-(1,3-thiazol-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one
SMILESCN1CC(=O)N(c2ccccc2)CC12CCN(Cc1nccs1)C2
InChIInChI=1S/C18H22N4OS/c1-20-12-17(23)22(15-5-3-2-4-6-15)14-18(20)7-9-21(13-18)11-16-19-8-10-24-16/h2-6,8,10H,7,9,11-14H2,1H3
InChIKeyMYNSTECIPAKSGJ-UHFFFAOYSA-N
XLogP2.07
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-9-phenyl-2-(1,3-thiazol-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one?
The IUPAC name of 6-methyl-9-phenyl-2-(1,3-thiazol-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one (CID 118746372) is 6-methyl-9-phenyl-2-(1,3-thiazol-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one.
What is the SMILES notation for 6-methyl-9-phenyl-2-(1,3-thiazol-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one?
The canonical SMILES for 6-methyl-9-phenyl-2-(1,3-thiazol-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one is CN1CC(=O)N(c2ccccc2)CC12CCN(Cc1nccs1)C2.
What is the InChIKey of 6-methyl-9-phenyl-2-(1,3-thiazol-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one?
The InChIKey is MYNSTECIPAKSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4OS/c1-20-12-17(23)22(15-5-3-2-4-6-15)14-18(20)7-9-21(13-18)11-16-19-8-10-24-16/h2-6,8,10H,7,9,11-14H2,1H3.
What are the key properties of 6-methyl-9-phenyl-2-(1,3-thiazol-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one?
6-methyl-9-phenyl-2-(1,3-thiazol-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one has a molecular weight of 342.47 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-9-phenyl-2-(1,3-thiazol-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one is sourced from PubChem (CID 118746372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).