(3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-(1,3-thiazol-4-yl)methanone

C13H18N2O3S — CID 118739126

IUPAC(3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-(1,3-thiazol-4-yl)methanone
SMILESCOC1COC2(CCN(C(=O)c3cscn3)CC2)C1
InChIInChI=1S/C13H18N2O3S/c1-17-10-6-13(18-7-10)2-4-15(5-3-13)12(16)11-8-19-9-14-11/h8-10H,2-7H2,1H3
InChIKeyMYHXNULAGWBLDR-UHFFFAOYSA-N
MW282.36 g/mol
LogP1.55
Rot. Bonds2

About (3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-(1,3-thiazol-4-yl)methanone

(3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-(1,3-thiazol-4-yl)methanone (PubChem CID 118739126) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is (3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name(3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-(1,3-thiazol-4-yl)methanone
PubChem CID118739126
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Name(3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-(1,3-thiazol-4-yl)methanone
SMILESCOC1COC2(CCN(C(=O)c3cscn3)CC2)C1
InChIInChI=1S/C13H18N2O3S/c1-17-10-6-13(18-7-10)2-4-15(5-3-13)12(16)11-8-19-9-14-11/h8-10H,2-7H2,1H3
InChIKeyMYHXNULAGWBLDR-UHFFFAOYSA-N
XLogP1.55
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-(1,3-thiazol-4-yl)methanone?
The IUPAC name of (3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-(1,3-thiazol-4-yl)methanone (CID 118739126) is (3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for (3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for (3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-(1,3-thiazol-4-yl)methanone is COC1COC2(CCN(C(=O)c3cscn3)CC2)C1.
What is the InChIKey of (3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-(1,3-thiazol-4-yl)methanone?
The InChIKey is MYHXNULAGWBLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-17-10-6-13(18-7-10)2-4-15(5-3-13)12(16)11-8-19-9-14-11/h8-10H,2-7H2,1H3.
What are the key properties of (3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-(1,3-thiazol-4-yl)methanone?
(3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-(1,3-thiazol-4-yl)methanone has a molecular weight of 282.36 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 118739126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).