7-(2-methoxyethyl)-2-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one

C17H28N4O2S — CID 72856634

IUPAC7-(2-methoxyethyl)-2-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCOCCN1CCCC2(CCN(Cc3snnc3C(C)C)C2)C1=O
InChIInChI=1S/C17H28N4O2S/c1-13(2)15-14(24-19-18-15)11-20-8-6-17(12-20)5-4-7-21(16(17)22)9-10-23-3/h13H,4-12H2,1-3H3
InChIKeyXMLOEXINMHZFMI-UHFFFAOYSA-N
MW352.50 g/mol
LogP2.12
Rot. Bonds6

About 7-(2-methoxyethyl)-2-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one

7-(2-methoxyethyl)-2-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72856634) has the molecular formula C17H28N4O2S and a molecular weight of 352.50 g/mol. Its IUPAC name is 7-(2-methoxyethyl)-2-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name7-(2-methoxyethyl)-2-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72856634
Molecular FormulaC17H28N4O2S
Molecular Weight352.50 g/mol
Exact Mass352.19
IUPAC Name7-(2-methoxyethyl)-2-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCOCCN1CCCC2(CCN(Cc3snnc3C(C)C)C2)C1=O
InChIInChI=1S/C17H28N4O2S/c1-13(2)15-14(24-19-18-15)11-20-8-6-17(12-20)5-4-7-21(16(17)22)9-10-23-3/h13H,4-12H2,1-3H3
InChIKeyXMLOEXINMHZFMI-UHFFFAOYSA-N
XLogP2.12
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxyethyl)-2-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 7-(2-methoxyethyl)-2-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one (CID 72856634) is 7-(2-methoxyethyl)-2-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 7-(2-methoxyethyl)-2-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 7-(2-methoxyethyl)-2-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one is COCCN1CCCC2(CCN(Cc3snnc3C(C)C)C2)C1=O.
What is the InChIKey of 7-(2-methoxyethyl)-2-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is XMLOEXINMHZFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2S/c1-13(2)15-14(24-19-18-15)11-20-8-6-17(12-20)5-4-7-21(16(17)22)9-10-23-3/h13H,4-12H2,1-3H3.
What are the key properties of 7-(2-methoxyethyl)-2-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
7-(2-methoxyethyl)-2-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 352.50 g/mol, XLogP of 2.12, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxyethyl)-2-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72856634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).