8-(2-methoxyethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one

C16H25N3O2S — CID 97493850

IUPAC8-(2-methoxyethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one
SMILESCOCCN1CCC2(CCC(=O)N2Cc2csc(C)n2)CC1
InChIInChI=1S/C16H25N3O2S/c1-13-17-14(12-22-13)11-19-15(20)3-4-16(19)5-7-18(8-6-16)9-10-21-2/h12H,3-11H2,1-2H3
InChIKeyBFHXCBDIZPTCED-UHFFFAOYSA-N
MW323.46 g/mol
LogP2.05
Rot. Bonds5

About 8-(2-methoxyethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one

8-(2-methoxyethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 97493850) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is 8-(2-methoxyethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(2-methoxyethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one
PubChem CID97493850
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC Name8-(2-methoxyethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one
SMILESCOCCN1CCC2(CCC(=O)N2Cc2csc(C)n2)CC1
InChIInChI=1S/C16H25N3O2S/c1-13-17-14(12-22-13)11-19-15(20)3-4-16(19)5-7-18(8-6-16)9-10-21-2/h12H,3-11H2,1-2H3
InChIKeyBFHXCBDIZPTCED-UHFFFAOYSA-N
XLogP2.05
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(2-methoxyethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(2-methoxyethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one (CID 97493850) is 8-(2-methoxyethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(2-methoxyethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(2-methoxyethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one is COCCN1CCC2(CCC(=O)N2Cc2csc(C)n2)CC1.
What is the InChIKey of 8-(2-methoxyethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is BFHXCBDIZPTCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2S/c1-13-17-14(12-22-13)11-19-15(20)3-4-16(19)5-7-18(8-6-16)9-10-21-2/h12H,3-11H2,1-2H3.
What are the key properties of 8-(2-methoxyethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one?
8-(2-methoxyethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 323.46 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methoxyethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97493850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).