(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methoxy-7-azaspiro[3.5]nonan-7-yl)methanone

C15H22N2O2S — CID 110197950

IUPAC(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methoxy-7-azaspiro[3.5]nonan-7-yl)methanone
SMILESCOC1CCC12CCN(C(=O)c1sc(C)nc1C)CC2
InChIInChI=1S/C15H22N2O2S/c1-10-13(20-11(2)16-10)14(18)17-8-6-15(7-9-17)5-4-12(15)19-3/h12H,4-9H2,1-3H3
InChIKeyVOJSUVZTNXQVDH-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.79
Rot. Bonds2

About (2,4-dimethyl-1,3-thiazol-5-yl)-(3-methoxy-7-azaspiro[3.5]nonan-7-yl)methanone

(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methoxy-7-azaspiro[3.5]nonan-7-yl)methanone (PubChem CID 110197950) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is (2,4-dimethyl-1,3-thiazol-5-yl)-(3-methoxy-7-azaspiro[3.5]nonan-7-yl)methanone.

Molecular Properties

Compound Name(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methoxy-7-azaspiro[3.5]nonan-7-yl)methanone
PubChem CID110197950
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methoxy-7-azaspiro[3.5]nonan-7-yl)methanone
SMILESCOC1CCC12CCN(C(=O)c1sc(C)nc1C)CC2
InChIInChI=1S/C15H22N2O2S/c1-10-13(20-11(2)16-10)14(18)17-8-6-15(7-9-17)5-4-12(15)19-3/h12H,4-9H2,1-3H3
InChIKeyVOJSUVZTNXQVDH-UHFFFAOYSA-N
XLogP2.79
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-(3-methoxy-7-azaspiro[3.5]nonan-7-yl)methanone?
The IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-(3-methoxy-7-azaspiro[3.5]nonan-7-yl)methanone (CID 110197950) is (2,4-dimethyl-1,3-thiazol-5-yl)-(3-methoxy-7-azaspiro[3.5]nonan-7-yl)methanone.
What is the SMILES notation for (2,4-dimethyl-1,3-thiazol-5-yl)-(3-methoxy-7-azaspiro[3.5]nonan-7-yl)methanone?
The canonical SMILES for (2,4-dimethyl-1,3-thiazol-5-yl)-(3-methoxy-7-azaspiro[3.5]nonan-7-yl)methanone is COC1CCC12CCN(C(=O)c1sc(C)nc1C)CC2.
What is the InChIKey of (2,4-dimethyl-1,3-thiazol-5-yl)-(3-methoxy-7-azaspiro[3.5]nonan-7-yl)methanone?
The InChIKey is VOJSUVZTNXQVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-10-13(20-11(2)16-10)14(18)17-8-6-15(7-9-17)5-4-12(15)19-3/h12H,4-9H2,1-3H3.
What are the key properties of (2,4-dimethyl-1,3-thiazol-5-yl)-(3-methoxy-7-azaspiro[3.5]nonan-7-yl)methanone?
(2,4-dimethyl-1,3-thiazol-5-yl)-(3-methoxy-7-azaspiro[3.5]nonan-7-yl)methanone has a molecular weight of 294.42 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-1,3-thiazol-5-yl)-(3-methoxy-7-azaspiro[3.5]nonan-7-yl)methanone is sourced from PubChem (CID 110197950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).