4-pyridin-2-yl-8-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane

C15H19N5OS — CID 118744301

IUPAC4-pyridin-2-yl-8-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane
SMILESc1ccc(N2CCOC3(CCCN(c4nncs4)C3)C2)nc1
InChIInChI=1S/C15H19N5OS/c1-2-6-16-13(4-1)19-8-9-21-15(10-19)5-3-7-20(11-15)14-18-17-12-22-14/h1-2,4,6,12H,3,5,7-11H2
InChIKeyQSVWDOZZGQDNTP-UHFFFAOYSA-N
MW317.42 g/mol
LogP1.81
Rot. Bonds2

About 4-pyridin-2-yl-8-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane

4-pyridin-2-yl-8-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane (PubChem CID 118744301) has the molecular formula C15H19N5OS and a molecular weight of 317.42 g/mol. Its IUPAC name is 4-pyridin-2-yl-8-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-pyridin-2-yl-8-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane
PubChem CID118744301
Molecular FormulaC15H19N5OS
Molecular Weight317.42 g/mol
Exact Mass317.13
IUPAC Name4-pyridin-2-yl-8-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane
SMILESc1ccc(N2CCOC3(CCCN(c4nncs4)C3)C2)nc1
InChIInChI=1S/C15H19N5OS/c1-2-6-16-13(4-1)19-8-9-21-15(10-19)5-3-7-20(11-15)14-18-17-12-22-14/h1-2,4,6,12H,3,5,7-11H2
InChIKeyQSVWDOZZGQDNTP-UHFFFAOYSA-N
XLogP1.81
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-pyridin-2-yl-8-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane?
The IUPAC name of 4-pyridin-2-yl-8-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane (CID 118744301) is 4-pyridin-2-yl-8-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-pyridin-2-yl-8-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane?
The canonical SMILES for 4-pyridin-2-yl-8-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane is c1ccc(N2CCOC3(CCCN(c4nncs4)C3)C2)nc1.
What is the InChIKey of 4-pyridin-2-yl-8-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane?
The InChIKey is QSVWDOZZGQDNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5OS/c1-2-6-16-13(4-1)19-8-9-21-15(10-19)5-3-7-20(11-15)14-18-17-12-22-14/h1-2,4,6,12H,3,5,7-11H2.
What are the key properties of 4-pyridin-2-yl-8-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane?
4-pyridin-2-yl-8-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane has a molecular weight of 317.42 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-2-yl-8-(1,3,4-thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane is sourced from PubChem (CID 118744301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).