[(3R)-oxolan-3-yl]-[(5R)-9-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone

C17H25N3O2S — CID 97450072

IUPAC[(3R)-oxolan-3-yl]-[(5R)-9-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
SMILESO=C([C@@H]1CCOC1)N1CC[C@@]2(CCCN(Cc3nccs3)C2)C1
InChIInChI=1S/C17H25N3O2S/c21-16(14-2-8-22-11-14)20-7-4-17(13-20)3-1-6-19(12-17)10-15-18-5-9-23-15/h5,9,14H,1-4,6-8,10-13H2/t14-,17-/m1/s1
InChIKeyXPKRLHRWHYBYSJ-RHSMWYFYSA-N
MW335.47 g/mol
LogP1.99
Rot. Bonds3

About [(3R)-oxolan-3-yl]-[(5R)-9-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone

[(3R)-oxolan-3-yl]-[(5R)-9-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone (PubChem CID 97450072) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is [(3R)-oxolan-3-yl]-[(5R)-9-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone.

Molecular Properties

Compound Name[(3R)-oxolan-3-yl]-[(5R)-9-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
PubChem CID97450072
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC Name[(3R)-oxolan-3-yl]-[(5R)-9-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
SMILESO=C([C@@H]1CCOC1)N1CC[C@@]2(CCCN(Cc3nccs3)C2)C1
InChIInChI=1S/C17H25N3O2S/c21-16(14-2-8-22-11-14)20-7-4-17(13-20)3-1-6-19(12-17)10-15-18-5-9-23-15/h5,9,14H,1-4,6-8,10-13H2/t14-,17-/m1/s1
InChIKeyXPKRLHRWHYBYSJ-RHSMWYFYSA-N
XLogP1.99
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 ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-Methylpropyl)-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one
CID 97370161
Oxan-4-yl-[9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone
CID 97370622
Oxolan-3-yl-[2-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 118741023
Oxolan-3-yl-[4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 118741024
Oxolan-3-yl-[9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone
CID 118741025
[(3aS,6aR)-2-(1,3-thiazol-2-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(oxolan-3-yl)methanone
CID 118741190
(3aS,7aR)-N,N-dimethyl-5-(1,3-thiazol-2-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
CID 125221267
2-(Cyclopropylmethyl)-4-(methoxymethyl)-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one
CID 131660207
Oxolan-3-yl-[4-(1,3-thiazol-2-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 23856455
2-(3-Methoxypropyl)-8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72838727
7-(tetrahydro-2H-pyran-4-yl)-2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72913082
Oxolan-3-yl-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 86768293

Frequently Asked Questions

What is the IUPAC name of [(3R)-oxolan-3-yl]-[(5R)-9-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone?
The IUPAC name of [(3R)-oxolan-3-yl]-[(5R)-9-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone (CID 97450072) is [(3R)-oxolan-3-yl]-[(5R)-9-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone.
What is the SMILES notation for [(3R)-oxolan-3-yl]-[(5R)-9-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone?
The canonical SMILES for [(3R)-oxolan-3-yl]-[(5R)-9-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone is O=C([C@@H]1CCOC1)N1CC[C@@]2(CCCN(Cc3nccs3)C2)C1.
What is the InChIKey of [(3R)-oxolan-3-yl]-[(5R)-9-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone?
The InChIKey is XPKRLHRWHYBYSJ-RHSMWYFYSA-N. The full InChI is InChI=1S/C17H25N3O2S/c21-16(14-2-8-22-11-14)20-7-4-17(13-20)3-1-6-19(12-17)10-15-18-5-9-23-15/h5,9,14H,1-4,6-8,10-13H2/t14-,17-/m1/s1.
What are the key properties of [(3R)-oxolan-3-yl]-[(5R)-9-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone?
[(3R)-oxolan-3-yl]-[(5R)-9-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone has a molecular weight of 335.47 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-oxolan-3-yl]-[(5R)-9-(1,3-thiazol-2-ylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone is sourced from PubChem (CID 97450072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).