2-ethyl-8-(4-propan-2-ylthiadiazole-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one

C17H26N4O2S — CID 70772495

IUPAC2-ethyl-8-(4-propan-2-ylthiadiazole-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCCN1CC2(CCCN(C(=O)c3snnc3C(C)C)C2)CCC1=O
InChIInChI=1S/C17H26N4O2S/c1-4-20-10-17(8-6-13(20)22)7-5-9-21(11-17)16(23)15-14(12(2)3)18-19-24-15/h12H,4-11H2,1-3H3
InChIKeyVHPBLJGKNVZZJT-UHFFFAOYSA-N
MW350.49 g/mol
LogP2.53
Rot. Bonds3

About 2-ethyl-8-(4-propan-2-ylthiadiazole-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one

2-ethyl-8-(4-propan-2-ylthiadiazole-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70772495) has the molecular formula C17H26N4O2S and a molecular weight of 350.49 g/mol. Its IUPAC name is 2-ethyl-8-(4-propan-2-ylthiadiazole-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-ethyl-8-(4-propan-2-ylthiadiazole-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70772495
Molecular FormulaC17H26N4O2S
Molecular Weight350.49 g/mol
Exact Mass350.18
IUPAC Name2-ethyl-8-(4-propan-2-ylthiadiazole-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCCN1CC2(CCCN(C(=O)c3snnc3C(C)C)C2)CCC1=O
InChIInChI=1S/C17H26N4O2S/c1-4-20-10-17(8-6-13(20)22)7-5-9-21(11-17)16(23)15-14(12(2)3)18-19-24-15/h12H,4-11H2,1-3H3
InChIKeyVHPBLJGKNVZZJT-UHFFFAOYSA-N
XLogP2.53
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-8-(4-propan-2-ylthiadiazole-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-ethyl-8-(4-propan-2-ylthiadiazole-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one (CID 70772495) is 2-ethyl-8-(4-propan-2-ylthiadiazole-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-ethyl-8-(4-propan-2-ylthiadiazole-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-ethyl-8-(4-propan-2-ylthiadiazole-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one is CCN1CC2(CCCN(C(=O)c3snnc3C(C)C)C2)CCC1=O.
What is the InChIKey of 2-ethyl-8-(4-propan-2-ylthiadiazole-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is VHPBLJGKNVZZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2S/c1-4-20-10-17(8-6-13(20)22)7-5-9-21(11-17)16(23)15-14(12(2)3)18-19-24-15/h12H,4-11H2,1-3H3.
What are the key properties of 2-ethyl-8-(4-propan-2-ylthiadiazole-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
2-ethyl-8-(4-propan-2-ylthiadiazole-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 350.49 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-8-(4-propan-2-ylthiadiazole-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70772495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).