4-benzyl-8-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane

C20H25N5OS — CID 167813222

IUPAC4-benzyl-8-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane
SMILESCc1cn2nc(N3CCCC4(CN(Cc5ccccc5)CCO4)C3)sc2n1
InChIInChI=1S/C20H25N5OS/c1-16-12-25-18(21-16)27-19(22-25)24-9-5-8-20(15-24)14-23(10-11-26-20)13-17-6-3-2-4-7-17/h2-4,6-7,12H,5,8-11,13-15H2,1H3
InChIKeyWSVGWXPBXHCDBV-UHFFFAOYSA-N
MW383.52 g/mol
LogP2.97
Rot. Bonds3

About 4-benzyl-8-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane

4-benzyl-8-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane (PubChem CID 167813222) has the molecular formula C20H25N5OS and a molecular weight of 383.52 g/mol. Its IUPAC name is 4-benzyl-8-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-benzyl-8-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane
PubChem CID167813222
Molecular FormulaC20H25N5OS
Molecular Weight383.52 g/mol
Exact Mass383.18
IUPAC Name4-benzyl-8-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane
SMILESCc1cn2nc(N3CCCC4(CN(Cc5ccccc5)CCO4)C3)sc2n1
InChIInChI=1S/C20H25N5OS/c1-16-12-25-18(21-16)27-19(22-25)24-9-5-8-20(15-24)14-23(10-11-26-20)13-17-6-3-2-4-7-17/h2-4,6-7,12H,5,8-11,13-15H2,1H3
InChIKeyWSVGWXPBXHCDBV-UHFFFAOYSA-N
XLogP2.97
TPSA45.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-8-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane?
The IUPAC name of 4-benzyl-8-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane (CID 167813222) is 4-benzyl-8-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-benzyl-8-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane?
The canonical SMILES for 4-benzyl-8-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane is Cc1cn2nc(N3CCCC4(CN(Cc5ccccc5)CCO4)C3)sc2n1.
What is the InChIKey of 4-benzyl-8-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane?
The InChIKey is WSVGWXPBXHCDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5OS/c1-16-12-25-18(21-16)27-19(22-25)24-9-5-8-20(15-24)14-23(10-11-26-20)13-17-6-3-2-4-7-17/h2-4,6-7,12H,5,8-11,13-15H2,1H3.
What are the key properties of 4-benzyl-8-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane?
4-benzyl-8-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane has a molecular weight of 383.52 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-8-(6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane is sourced from PubChem (CID 167813222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).