2-pyridin-2-yl-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane

C17H22N4OS — CID 118744203

IUPAC2-pyridin-2-yl-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
SMILESc1ccc(N2CCCC3(COCCN(c4nccs4)C3)C2)nc1
InChIInChI=1S/C17H22N4OS/c1-2-6-18-15(4-1)20-8-3-5-17(12-20)13-21(9-10-22-14-17)16-19-7-11-23-16/h1-2,4,6-7,11H,3,5,8-10,12-14H2
InChIKeyWBYQUHWZTWLJCZ-UHFFFAOYSA-N
MW330.46 g/mol
LogP2.66
Rot. Bonds2

About 2-pyridin-2-yl-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane

2-pyridin-2-yl-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane (PubChem CID 118744203) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is 2-pyridin-2-yl-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name2-pyridin-2-yl-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
PubChem CID118744203
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC Name2-pyridin-2-yl-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
SMILESc1ccc(N2CCCC3(COCCN(c4nccs4)C3)C2)nc1
InChIInChI=1S/C17H22N4OS/c1-2-6-18-15(4-1)20-8-3-5-17(12-20)13-21(9-10-22-14-17)16-19-7-11-23-16/h1-2,4,6-7,11H,3,5,8-10,12-14H2
InChIKeyWBYQUHWZTWLJCZ-UHFFFAOYSA-N
XLogP2.66
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-pyridin-2-yl-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane?
The IUPAC name of 2-pyridin-2-yl-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane (CID 118744203) is 2-pyridin-2-yl-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane.
What is the SMILES notation for 2-pyridin-2-yl-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane?
The canonical SMILES for 2-pyridin-2-yl-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane is c1ccc(N2CCCC3(COCCN(c4nccs4)C3)C2)nc1.
What is the InChIKey of 2-pyridin-2-yl-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane?
The InChIKey is WBYQUHWZTWLJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-2-6-18-15(4-1)20-8-3-5-17(12-20)13-21(9-10-22-14-17)16-19-7-11-23-16/h1-2,4,6-7,11H,3,5,8-10,12-14H2.
What are the key properties of 2-pyridin-2-yl-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane?
2-pyridin-2-yl-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane has a molecular weight of 330.46 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane is sourced from PubChem (CID 118744203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).