2-[[(2R)-oxolan-2-yl]methyl]-9-(1,3-thiazol-2-yl)-2,9-diazaspiro[5.5]undecan-3-one

C17H25N3O2S — CID 97124679

IUPAC2-[[(2R)-oxolan-2-yl]methyl]-9-(1,3-thiazol-2-yl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCN(c3nccs3)CC2)CN1C[C@H]1CCCO1
InChIInChI=1S/C17H25N3O2S/c21-15-3-4-17(13-20(15)12-14-2-1-10-22-14)5-8-19(9-6-17)16-18-7-11-23-16/h7,11,14H,1-6,8-10,12-13H2/t14-/m1/s1
InChIKeyZDLSTLZLBSJPNJ-CQSZACIVSA-N
MW335.47 g/mol
LogP2.53
Rot. Bonds3

About 2-[[(2R)-oxolan-2-yl]methyl]-9-(1,3-thiazol-2-yl)-2,9-diazaspiro[5.5]undecan-3-one

2-[[(2R)-oxolan-2-yl]methyl]-9-(1,3-thiazol-2-yl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97124679) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is 2-[[(2R)-oxolan-2-yl]methyl]-9-(1,3-thiazol-2-yl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-[[(2R)-oxolan-2-yl]methyl]-9-(1,3-thiazol-2-yl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID97124679
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC Name2-[[(2R)-oxolan-2-yl]methyl]-9-(1,3-thiazol-2-yl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1CCC2(CCN(c3nccs3)CC2)CN1C[C@H]1CCCO1
InChIInChI=1S/C17H25N3O2S/c21-15-3-4-17(13-20(15)12-14-2-1-10-22-14)5-8-19(9-6-17)16-18-7-11-23-16/h7,11,14H,1-6,8-10,12-13H2/t14-/m1/s1
InChIKeyZDLSTLZLBSJPNJ-CQSZACIVSA-N
XLogP2.53
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-oxolan-2-yl]methyl]-9-(1,3-thiazol-2-yl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-[[(2R)-oxolan-2-yl]methyl]-9-(1,3-thiazol-2-yl)-2,9-diazaspiro[5.5]undecan-3-one (CID 97124679) is 2-[[(2R)-oxolan-2-yl]methyl]-9-(1,3-thiazol-2-yl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-[[(2R)-oxolan-2-yl]methyl]-9-(1,3-thiazol-2-yl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-[[(2R)-oxolan-2-yl]methyl]-9-(1,3-thiazol-2-yl)-2,9-diazaspiro[5.5]undecan-3-one is O=C1CCC2(CCN(c3nccs3)CC2)CN1C[C@H]1CCCO1.
What is the InChIKey of 2-[[(2R)-oxolan-2-yl]methyl]-9-(1,3-thiazol-2-yl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is ZDLSTLZLBSJPNJ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H25N3O2S/c21-15-3-4-17(13-20(15)12-14-2-1-10-22-14)5-8-19(9-6-17)16-18-7-11-23-16/h7,11,14H,1-6,8-10,12-13H2/t14-/m1/s1.
What are the key properties of 2-[[(2R)-oxolan-2-yl]methyl]-9-(1,3-thiazol-2-yl)-2,9-diazaspiro[5.5]undecan-3-one?
2-[[(2R)-oxolan-2-yl]methyl]-9-(1,3-thiazol-2-yl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 335.47 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-oxolan-2-yl]methyl]-9-(1,3-thiazol-2-yl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97124679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).