2-(2-methoxyethyl)-8-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one

C18H30N4O2S — CID 70755092

IUPAC2-(2-methoxyethyl)-8-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCOCCN1CC2(CCCN(Cc3snnc3C(C)C)C2)CCC1=O
InChIInChI=1S/C18H30N4O2S/c1-14(2)17-15(25-20-19-17)11-21-8-4-6-18(12-21)7-5-16(23)22(13-18)9-10-24-3/h14H,4-13H2,1-3H3
InChIKeyZCWUHKWSUFBHLV-UHFFFAOYSA-N
MW366.53 g/mol
LogP2.51
Rot. Bonds6

About 2-(2-methoxyethyl)-8-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one

2-(2-methoxyethyl)-8-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70755092) has the molecular formula C18H30N4O2S and a molecular weight of 366.53 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-8-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(2-methoxyethyl)-8-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70755092
Molecular FormulaC18H30N4O2S
Molecular Weight366.53 g/mol
Exact Mass366.21
IUPAC Name2-(2-methoxyethyl)-8-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCOCCN1CC2(CCCN(Cc3snnc3C(C)C)C2)CCC1=O
InChIInChI=1S/C18H30N4O2S/c1-14(2)17-15(25-20-19-17)11-21-8-4-6-18(12-21)7-5-16(23)22(13-18)9-10-24-3/h14H,4-13H2,1-3H3
InChIKeyZCWUHKWSUFBHLV-UHFFFAOYSA-N
XLogP2.51
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-8-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(2-methoxyethyl)-8-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one (CID 70755092) is 2-(2-methoxyethyl)-8-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(2-methoxyethyl)-8-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(2-methoxyethyl)-8-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one is COCCN1CC2(CCCN(Cc3snnc3C(C)C)C2)CCC1=O.
What is the InChIKey of 2-(2-methoxyethyl)-8-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is ZCWUHKWSUFBHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2S/c1-14(2)17-15(25-20-19-17)11-21-8-4-6-18(12-21)7-5-16(23)22(13-18)9-10-24-3/h14H,4-13H2,1-3H3.
What are the key properties of 2-(2-methoxyethyl)-8-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
2-(2-methoxyethyl)-8-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 366.53 g/mol, XLogP of 2.51, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-8-[(4-propan-2-ylthiadiazol-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70755092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).