(8S)-8-(6-methylpyrazin-2-yl)oxy-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonane

C15H19N5O2S — CID 124913166

IUPAC(8S)-8-(6-methylpyrazin-2-yl)oxy-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonane
SMILESCc1cncc(O[C@H]2CCOC3(C2)CN(c2nnc(C)s2)C3)n1
InChIInChI=1S/C15H19N5O2S/c1-10-6-16-7-13(17-10)22-12-3-4-21-15(5-12)8-20(9-15)14-19-18-11(2)23-14/h6-7,12H,3-5,8-9H2,1-2H3/t12-/m0/s1
InChIKeyJTXARINKZFKOCL-LBPRGKRZSA-N
MW333.42 g/mol
LogP1.76
Rot. Bonds3

About (8S)-8-(6-methylpyrazin-2-yl)oxy-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonane

(8S)-8-(6-methylpyrazin-2-yl)oxy-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonane (PubChem CID 124913166) has the molecular formula C15H19N5O2S and a molecular weight of 333.42 g/mol. Its IUPAC name is (8S)-8-(6-methylpyrazin-2-yl)oxy-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

Compound Name(8S)-8-(6-methylpyrazin-2-yl)oxy-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonane
PubChem CID124913166
Molecular FormulaC15H19N5O2S
Molecular Weight333.42 g/mol
Exact Mass333.13
IUPAC Name(8S)-8-(6-methylpyrazin-2-yl)oxy-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonane
SMILESCc1cncc(O[C@H]2CCOC3(C2)CN(c2nnc(C)s2)C3)n1
InChIInChI=1S/C15H19N5O2S/c1-10-6-16-7-13(17-10)22-12-3-4-21-15(5-12)8-20(9-15)14-19-18-11(2)23-14/h6-7,12H,3-5,8-9H2,1-2H3/t12-/m0/s1
InChIKeyJTXARINKZFKOCL-LBPRGKRZSA-N
XLogP1.76
TPSA73.26 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (8S)-8-(6-methylpyrazin-2-yl)oxy-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonane?
The IUPAC name of (8S)-8-(6-methylpyrazin-2-yl)oxy-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonane (CID 124913166) is (8S)-8-(6-methylpyrazin-2-yl)oxy-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonane.
What is the SMILES notation for (8S)-8-(6-methylpyrazin-2-yl)oxy-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonane?
The canonical SMILES for (8S)-8-(6-methylpyrazin-2-yl)oxy-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonane is Cc1cncc(O[C@H]2CCOC3(C2)CN(c2nnc(C)s2)C3)n1.
What is the InChIKey of (8S)-8-(6-methylpyrazin-2-yl)oxy-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonane?
The InChIKey is JTXARINKZFKOCL-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19N5O2S/c1-10-6-16-7-13(17-10)22-12-3-4-21-15(5-12)8-20(9-15)14-19-18-11(2)23-14/h6-7,12H,3-5,8-9H2,1-2H3/t12-/m0/s1.
What are the key properties of (8S)-8-(6-methylpyrazin-2-yl)oxy-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonane?
(8S)-8-(6-methylpyrazin-2-yl)oxy-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonane has a molecular weight of 333.42 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-8-(6-methylpyrazin-2-yl)oxy-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 124913166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).