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

C16H25N3O2S — CID 72940573

IUPAC9-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-2-oxa-9-azaspiro[4.5]decane
SMILESc1nc(N2CCOCC2)sc1CN1CCCC2(CCOC2)C1
InChIInChI=1S/C16H25N3O2S/c1-2-16(3-7-21-13-16)12-18(4-1)11-14-10-17-15(22-14)19-5-8-20-9-6-19/h10H,1-9,11-13H2
InChIKeyDNRXYVIXFAWMHE-UHFFFAOYSA-N
MW323.46 g/mol
LogP1.98
Rot. Bonds3

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

9-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-2-oxa-9-azaspiro[4.5]decane (PubChem CID 72940573) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is 9-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-2-oxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name9-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-2-oxa-9-azaspiro[4.5]decane
PubChem CID72940573
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC Name9-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-2-oxa-9-azaspiro[4.5]decane
SMILESc1nc(N2CCOCC2)sc1CN1CCCC2(CCOC2)C1
InChIInChI=1S/C16H25N3O2S/c1-2-16(3-7-21-13-16)12-18(4-1)11-14-10-17-15(22-14)19-5-8-20-9-6-19/h10H,1-9,11-13H2
InChIKeyDNRXYVIXFAWMHE-UHFFFAOYSA-N
XLogP1.98
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-2-oxa-9-azaspiro[4.5]decane with MolForge

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Related Compounds

(5R)-9-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-2-oxa-9-azaspiro[4.5]decane
CID 97186800
9-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-2-oxa-9-azaspiro[4.5]decane
CID 72838357
(4R,5S)-7-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-7-azaspiro[4.5]decan-4-ol
CID 165422199
5-(piperidin-1-ylmethyl)-2-pyrrolidin-1-yl-1,3-thiazole
CID 118472763
5-(6-azaspiro[3.5]nonan-6-ylmethyl)-1,3-thiazol-2-amine
CID 120903504
9-ethyl-2-oxa-9-azaspiro[4.5]decane
CID 146386643
(6S)-11-pyrazin-2-yl-2-(thiophen-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 97494805
4-[5-[[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]morpholine
CID 77087056
2-(pyridin-2-ylmethyl)-11-(1,3-thiazol-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 134070430
(6S)-2-benzyl-11-(5-fluoropyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 97494863
2-benzyl-11-(5-fluoropyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 131644251
2-(pyridin-2-ylmethyl)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 131640300

Frequently Asked Questions

What is the IUPAC name of 9-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-2-oxa-9-azaspiro[4.5]decane?
The IUPAC name of 9-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-2-oxa-9-azaspiro[4.5]decane (CID 72940573) is 9-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-2-oxa-9-azaspiro[4.5]decane.
What is the SMILES notation for 9-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-2-oxa-9-azaspiro[4.5]decane?
The canonical SMILES for 9-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-2-oxa-9-azaspiro[4.5]decane is c1nc(N2CCOCC2)sc1CN1CCCC2(CCOC2)C1.
What is the InChIKey of 9-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-2-oxa-9-azaspiro[4.5]decane?
The InChIKey is DNRXYVIXFAWMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2S/c1-2-16(3-7-21-13-16)12-18(4-1)11-14-10-17-15(22-14)19-5-8-20-9-6-19/h10H,1-9,11-13H2.
What are the key properties of 9-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-2-oxa-9-azaspiro[4.5]decane?
9-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-2-oxa-9-azaspiro[4.5]decane has a molecular weight of 323.46 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-2-oxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 72940573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).