2-(4-ethylthiadiazole-5-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one

C16H24N4O3S — CID 72879760

IUPAC2-(4-ethylthiadiazole-5-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCCc1nnsc1C(=O)N1CCC2(CCCN(CCOC)C2=O)C1
InChIInChI=1S/C16H24N4O3S/c1-3-12-13(24-18-17-12)14(21)20-8-6-16(11-20)5-4-7-19(15(16)22)9-10-23-2/h3-11H2,1-2H3
InChIKeyAIQCQLLIGZKMHP-UHFFFAOYSA-N
MW352.46 g/mol
LogP1.20
Rot. Bonds5

About 2-(4-ethylthiadiazole-5-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one

2-(4-ethylthiadiazole-5-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72879760) has the molecular formula C16H24N4O3S and a molecular weight of 352.46 g/mol. Its IUPAC name is 2-(4-ethylthiadiazole-5-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-(4-ethylthiadiazole-5-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72879760
Molecular FormulaC16H24N4O3S
Molecular Weight352.46 g/mol
Exact Mass352.16
IUPAC Name2-(4-ethylthiadiazole-5-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCCc1nnsc1C(=O)N1CCC2(CCCN(CCOC)C2=O)C1
InChIInChI=1S/C16H24N4O3S/c1-3-12-13(24-18-17-12)14(21)20-8-6-16(11-20)5-4-7-19(15(16)22)9-10-23-2/h3-11H2,1-2H3
InChIKeyAIQCQLLIGZKMHP-UHFFFAOYSA-N
XLogP1.20
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylthiadiazole-5-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-(4-ethylthiadiazole-5-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one (CID 72879760) is 2-(4-ethylthiadiazole-5-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-(4-ethylthiadiazole-5-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-(4-ethylthiadiazole-5-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one is CCc1nnsc1C(=O)N1CCC2(CCCN(CCOC)C2=O)C1.
What is the InChIKey of 2-(4-ethylthiadiazole-5-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is AIQCQLLIGZKMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3S/c1-3-12-13(24-18-17-12)14(21)20-8-6-16(11-20)5-4-7-19(15(16)22)9-10-23-2/h3-11H2,1-2H3.
What are the key properties of 2-(4-ethylthiadiazole-5-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
2-(4-ethylthiadiazole-5-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 352.46 g/mol, XLogP of 1.20, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylthiadiazole-5-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72879760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).