morpholin-4-yl-[8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone

C17H26N4O2S — CID 97385400

IUPACmorpholin-4-yl-[8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone
SMILESO=C(N1CCOCC1)N1CCC2(CCN(Cc3nccs3)CC2)C1
InChIInChI=1S/C17H26N4O2S/c22-16(20-8-10-23-11-9-20)21-7-3-17(14-21)1-5-19(6-2-17)13-15-18-4-12-24-15/h4,12H,1-3,5-11,13-14H2
InChIKeyQQMIQYBDLAXLKG-UHFFFAOYSA-N
MW350.49 g/mol
LogP1.88
Rot. Bonds2

About morpholin-4-yl-[8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone

morpholin-4-yl-[8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone (PubChem CID 97385400) has the molecular formula C17H26N4O2S and a molecular weight of 350.49 g/mol. Its IUPAC name is morpholin-4-yl-[8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone
PubChem CID97385400
Molecular FormulaC17H26N4O2S
Molecular Weight350.49 g/mol
Exact Mass350.18
IUPAC Namemorpholin-4-yl-[8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone
SMILESO=C(N1CCOCC1)N1CCC2(CCN(Cc3nccs3)CC2)C1
InChIInChI=1S/C17H26N4O2S/c22-16(20-8-10-23-11-9-20)21-7-3-17(14-21)1-5-19(6-2-17)13-15-18-4-12-24-15/h4,12H,1-3,5-11,13-14H2
InChIKeyQQMIQYBDLAXLKG-UHFFFAOYSA-N
XLogP1.88
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone?
The IUPAC name of morpholin-4-yl-[8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone (CID 97385400) is morpholin-4-yl-[8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone?
The canonical SMILES for morpholin-4-yl-[8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone is O=C(N1CCOCC1)N1CCC2(CCN(Cc3nccs3)CC2)C1.
What is the InChIKey of morpholin-4-yl-[8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone?
The InChIKey is QQMIQYBDLAXLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2S/c22-16(20-8-10-23-11-9-20)21-7-3-17(14-21)1-5-19(6-2-17)13-15-18-4-12-24-15/h4,12H,1-3,5-11,13-14H2.
What are the key properties of morpholin-4-yl-[8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone?
morpholin-4-yl-[8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone has a molecular weight of 350.49 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[8-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]methanone is sourced from PubChem (CID 97385400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).