(5R,9R)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decane

C17H27N3OS — CID 97476073

IUPAC(5R,9R)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decane
SMILESCc1csc(CN2CC[C@@]3(C[C@H](N4CCCC4)CCO3)C2)n1
InChIInChI=1S/C17H27N3OS/c1-14-12-22-16(18-14)11-19-8-5-17(13-19)10-15(4-9-21-17)20-6-2-3-7-20/h12,15H,2-11,13H2,1H3/t15-,17-/m1/s1
InChIKeyIMLXTMKBOYGEJM-NVXWUHKLSA-N
MW321.49 g/mol
LogP2.67
Rot. Bonds3

About (5R,9R)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decane

(5R,9R)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decane (PubChem CID 97476073) has the molecular formula C17H27N3OS and a molecular weight of 321.49 g/mol. Its IUPAC name is (5R,9R)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decane.

Molecular Properties

Compound Name(5R,9R)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decane
PubChem CID97476073
Molecular FormulaC17H27N3OS
Molecular Weight321.49 g/mol
Exact Mass321.19
IUPAC Name(5R,9R)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decane
SMILESCc1csc(CN2CC[C@@]3(C[C@H](N4CCCC4)CCO3)C2)n1
InChIInChI=1S/C17H27N3OS/c1-14-12-22-16(18-14)11-19-8-5-17(13-19)10-15(4-9-21-17)20-6-2-3-7-20/h12,15H,2-11,13H2,1H3/t15-,17-/m1/s1
InChIKeyIMLXTMKBOYGEJM-NVXWUHKLSA-N
XLogP2.67
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.49
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5S,9S)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine
CID 124799648
(5R,9S)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine;bis(2,2,2-trifluoroacetic acid)
CID 155837507
(3S,5S)-3-(cyclopropylmethoxy)-9-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-oxa-9-azaspiro[4.5]decane
CID 97419713
2-[[4-(1-ethylpiperidin-4-yl)-1,4-diazepan-1-yl]methyl]-4-methyl-1,3-thiazole
CID 126422753
(2,6-dimethyl-4-pyridinyl)-[(5R,9R)-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone
CID 97477597
2-[(4-methyl-1,3-thiazol-2-yl)methyl]-8-(oxan-4-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane
CID 131663586
(8R)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-8-(pyridin-3-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonane
CID 124805402
(8S)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-8-pyrazin-2-yloxy-5-oxa-2-azaspiro[3.5]nonane
CID 124803732
4-methyl-2-[(4-pyrrolidin-3-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 91832296
(5R,9S)-2-[(2-fluorophenyl)methyl]-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 155830484
[(5R,9S)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-azaspiro[4.4]nonan-9-yl]-morpholin-4-ylmethanone
CID 98895050
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-oxaspiro[5.5]undecan-4-amine
CID 79895206

Frequently Asked Questions

What is the IUPAC name of (5R,9R)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decane?
The IUPAC name of (5R,9R)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decane (CID 97476073) is (5R,9R)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decane.
What is the SMILES notation for (5R,9R)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decane?
The canonical SMILES for (5R,9R)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decane is Cc1csc(CN2CC[C@@]3(C[C@H](N4CCCC4)CCO3)C2)n1.
What is the InChIKey of (5R,9R)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decane?
The InChIKey is IMLXTMKBOYGEJM-NVXWUHKLSA-N. The full InChI is InChI=1S/C17H27N3OS/c1-14-12-22-16(18-14)11-19-8-5-17(13-19)10-15(4-9-21-17)20-6-2-3-7-20/h12,15H,2-11,13H2,1H3/t15-,17-/m1/s1.
What are the key properties of (5R,9R)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decane?
(5R,9R)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decane has a molecular weight of 321.49 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,9R)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]-9-pyrrolidin-1-yl-6-oxa-2-azaspiro[4.5]decane is sourced from PubChem (CID 97476073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).