8-(4-ethylthiadiazole-5-carbonyl)-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one

C17H26N4O3S — CID 72878389

IUPAC8-(4-ethylthiadiazole-5-carbonyl)-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCCc1nnsc1C(=O)N1CCCC2(CCC(=O)N(CCOC)C2)C1
InChIInChI=1S/C17H26N4O3S/c1-3-13-15(25-19-18-13)16(23)21-8-4-6-17(12-21)7-5-14(22)20(11-17)9-10-24-2/h3-12H2,1-2H3
InChIKeyMZROLKHAGANALO-UHFFFAOYSA-N
MW366.49 g/mol
LogP1.59
Rot. Bonds5

About 8-(4-ethylthiadiazole-5-carbonyl)-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one

8-(4-ethylthiadiazole-5-carbonyl)-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 72878389) has the molecular formula C17H26N4O3S and a molecular weight of 366.49 g/mol. Its IUPAC name is 8-(4-ethylthiadiazole-5-carbonyl)-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name8-(4-ethylthiadiazole-5-carbonyl)-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID72878389
Molecular FormulaC17H26N4O3S
Molecular Weight366.49 g/mol
Exact Mass366.17
IUPAC Name8-(4-ethylthiadiazole-5-carbonyl)-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCCc1nnsc1C(=O)N1CCCC2(CCC(=O)N(CCOC)C2)C1
InChIInChI=1S/C17H26N4O3S/c1-3-13-15(25-19-18-13)16(23)21-8-4-6-17(12-21)7-5-14(22)20(11-17)9-10-24-2/h3-12H2,1-2H3
InChIKeyMZROLKHAGANALO-UHFFFAOYSA-N
XLogP1.59
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(4-ethylthiadiazole-5-carbonyl)-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 8-(4-ethylthiadiazole-5-carbonyl)-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one (CID 72878389) is 8-(4-ethylthiadiazole-5-carbonyl)-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 8-(4-ethylthiadiazole-5-carbonyl)-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 8-(4-ethylthiadiazole-5-carbonyl)-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one is CCc1nnsc1C(=O)N1CCCC2(CCC(=O)N(CCOC)C2)C1.
What is the InChIKey of 8-(4-ethylthiadiazole-5-carbonyl)-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is MZROLKHAGANALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3S/c1-3-13-15(25-19-18-13)16(23)21-8-4-6-17(12-21)7-5-14(22)20(11-17)9-10-24-2/h3-12H2,1-2H3.
What are the key properties of 8-(4-ethylthiadiazole-5-carbonyl)-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one?
8-(4-ethylthiadiazole-5-carbonyl)-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 366.49 g/mol, XLogP of 1.59, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-ethylthiadiazole-5-carbonyl)-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72878389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).