(3R,5R)-3-methoxy-7-(1,3-thiazol-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane

C12H18N2O2S — CID 97394165

IUPAC(3R,5R)-3-methoxy-7-(1,3-thiazol-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane
SMILESCO[C@H]1CO[C@]2(CCN(Cc3nccs3)C2)C1
InChIInChI=1S/C12H18N2O2S/c1-15-10-6-12(16-8-10)2-4-14(9-12)7-11-13-3-5-17-11/h3,5,10H,2,4,6-9H2,1H3/t10-,12-/m1/s1
InChIKeyIMFKAMGAHALLJC-ZYHUDNBSSA-N
MW254.35 g/mol
LogP1.52
Rot. Bonds3

About (3R,5R)-3-methoxy-7-(1,3-thiazol-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane

(3R,5R)-3-methoxy-7-(1,3-thiazol-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane (PubChem CID 97394165) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is (3R,5R)-3-methoxy-7-(1,3-thiazol-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane.

Molecular Properties

Compound Name(3R,5R)-3-methoxy-7-(1,3-thiazol-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane
PubChem CID97394165
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name(3R,5R)-3-methoxy-7-(1,3-thiazol-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane
SMILESCO[C@H]1CO[C@]2(CCN(Cc3nccs3)C2)C1
InChIInChI=1S/C12H18N2O2S/c1-15-10-6-12(16-8-10)2-4-14(9-12)7-11-13-3-5-17-11/h3,5,10H,2,4,6-9H2,1H3/t10-,12-/m1/s1
InChIKeyIMFKAMGAHALLJC-ZYHUDNBSSA-N
XLogP1.52
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-3-methoxy-7-(1,3-thiazol-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane?
The IUPAC name of (3R,5R)-3-methoxy-7-(1,3-thiazol-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane (CID 97394165) is (3R,5R)-3-methoxy-7-(1,3-thiazol-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane.
What is the SMILES notation for (3R,5R)-3-methoxy-7-(1,3-thiazol-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane?
The canonical SMILES for (3R,5R)-3-methoxy-7-(1,3-thiazol-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane is CO[C@H]1CO[C@]2(CCN(Cc3nccs3)C2)C1.
What is the InChIKey of (3R,5R)-3-methoxy-7-(1,3-thiazol-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane?
The InChIKey is IMFKAMGAHALLJC-ZYHUDNBSSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-15-10-6-12(16-8-10)2-4-14(9-12)7-11-13-3-5-17-11/h3,5,10H,2,4,6-9H2,1H3/t10-,12-/m1/s1.
What are the key properties of (3R,5R)-3-methoxy-7-(1,3-thiazol-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane?
(3R,5R)-3-methoxy-7-(1,3-thiazol-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane has a molecular weight of 254.35 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-3-methoxy-7-(1,3-thiazol-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane is sourced from PubChem (CID 97394165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).