8-[2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(1,2,4-thiadiazol-5-yl)-2,8-diazaspiro[4.5]decan-1-one

C19H23N9OS — CID 145069695

IUPAC8-[2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(1,2,4-thiadiazol-5-yl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCc1nc(-n2cnnn2)ccc1CCN1CCC2(CC1)CCN(c1ncns1)C2=O
InChIInChI=1S/C19H23N9OS/c1-14-15(2-3-16(23-14)28-13-21-24-25-28)4-8-26-9-5-19(6-10-26)7-11-27(17(19)29)18-20-12-22-30-18/h2-3,12-13H,4-11H2,1H3
InChIKeySTLOEPQVDXHHBQ-UHFFFAOYSA-N
MW425.52 g/mol
LogP1.28
Rot. Bonds5

About 8-[2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(1,2,4-thiadiazol-5-yl)-2,8-diazaspiro[4.5]decan-1-one

8-[2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(1,2,4-thiadiazol-5-yl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 145069695) has the molecular formula C19H23N9OS and a molecular weight of 425.52 g/mol. Its IUPAC name is 8-[2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(1,2,4-thiadiazol-5-yl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-[2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(1,2,4-thiadiazol-5-yl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID145069695
Molecular FormulaC19H23N9OS
Molecular Weight425.52 g/mol
Exact Mass425.17
IUPAC Name8-[2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(1,2,4-thiadiazol-5-yl)-2,8-diazaspiro[4.5]decan-1-one
SMILESCc1nc(-n2cnnn2)ccc1CCN1CCC2(CC1)CCN(c1ncns1)C2=O
InChIInChI=1S/C19H23N9OS/c1-14-15(2-3-16(23-14)28-13-21-24-25-28)4-8-26-9-5-19(6-10-26)7-11-27(17(19)29)18-20-12-22-30-18/h2-3,12-13H,4-11H2,1H3
InChIKeySTLOEPQVDXHHBQ-UHFFFAOYSA-N
XLogP1.28
TPSA105.82 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.52
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 8-[2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(1,2,4-thiadiazol-5-yl)-2,8-diazaspiro[4.5]decan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(1,2,4-thiadiazol-5-yl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-[2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(1,2,4-thiadiazol-5-yl)-2,8-diazaspiro[4.5]decan-1-one (CID 145069695) is 8-[2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(1,2,4-thiadiazol-5-yl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-[2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(1,2,4-thiadiazol-5-yl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-[2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(1,2,4-thiadiazol-5-yl)-2,8-diazaspiro[4.5]decan-1-one is Cc1nc(-n2cnnn2)ccc1CCN1CCC2(CC1)CCN(c1ncns1)C2=O.
What is the InChIKey of 8-[2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(1,2,4-thiadiazol-5-yl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is STLOEPQVDXHHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N9OS/c1-14-15(2-3-16(23-14)28-13-21-24-25-28)4-8-26-9-5-19(6-10-26)7-11-27(17(19)29)18-20-12-22-30-18/h2-3,12-13H,4-11H2,1H3.
What are the key properties of 8-[2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(1,2,4-thiadiazol-5-yl)-2,8-diazaspiro[4.5]decan-1-one?
8-[2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(1,2,4-thiadiazol-5-yl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 425.52 g/mol, XLogP of 1.28, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[2-methyl-6-(tetrazol-1-yl)-3-pyridinyl]ethyl]-2-(1,2,4-thiadiazol-5-yl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 145069695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).