1-methyl-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one

C13H19N3OS — CID 118745118

IUPAC1-methyl-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
SMILESCN1C(=O)CCC12CCCN(Cc1nccs1)C2
InChIInChI=1S/C13H19N3OS/c1-15-12(17)3-5-13(15)4-2-7-16(10-13)9-11-14-6-8-18-11/h6,8H,2-5,7,9-10H2,1H3
InChIKeyRGJFUUOPESVTJN-UHFFFAOYSA-N
MW265.38 g/mol
LogP1.73
Rot. Bonds2

About 1-methyl-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one

1-methyl-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one (PubChem CID 118745118) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 1-methyl-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-methyl-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
PubChem CID118745118
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name1-methyl-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
SMILESCN1C(=O)CCC12CCCN(Cc1nccs1)C2
InChIInChI=1S/C13H19N3OS/c1-15-12(17)3-5-13(15)4-2-7-16(10-13)9-11-14-6-8-18-11/h6,8H,2-5,7,9-10H2,1H3
InChIKeyRGJFUUOPESVTJN-UHFFFAOYSA-N
XLogP1.73
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-methyl-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one (CID 118745118) is 1-methyl-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-methyl-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-methyl-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one is CN1C(=O)CCC12CCCN(Cc1nccs1)C2.
What is the InChIKey of 1-methyl-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one?
The InChIKey is RGJFUUOPESVTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-15-12(17)3-5-13(15)4-2-7-16(10-13)9-11-14-6-8-18-11/h6,8H,2-5,7,9-10H2,1H3.
What are the key properties of 1-methyl-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one?
1-methyl-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one has a molecular weight of 265.38 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 118745118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).