2-methoxy-1-[2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[3.5]nonan-7-yl]ethanone

C14H21N3O2S — CID 3234517

IUPAC2-methoxy-1-[2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[3.5]nonan-7-yl]ethanone
SMILESCOCC(=O)N1CCC2(CC1)CN(Cc1nccs1)C2
InChIInChI=1S/C14H21N3O2S/c1-19-9-13(18)17-5-2-14(3-6-17)10-16(11-14)8-12-15-4-7-20-12/h4,7H,2-3,5-6,8-11H2,1H3
InChIKeyIZHCQDBRKBFJOQ-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.21
Rot. Bonds4

About 2-methoxy-1-[2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[3.5]nonan-7-yl]ethanone

2-methoxy-1-[2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[3.5]nonan-7-yl]ethanone (PubChem CID 3234517) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 2-methoxy-1-[2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[3.5]nonan-7-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[3.5]nonan-7-yl]ethanone
PubChem CID3234517
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name2-methoxy-1-[2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[3.5]nonan-7-yl]ethanone
SMILESCOCC(=O)N1CCC2(CC1)CN(Cc1nccs1)C2
InChIInChI=1S/C14H21N3O2S/c1-19-9-13(18)17-5-2-14(3-6-17)10-16(11-14)8-12-15-4-7-20-12/h4,7H,2-3,5-6,8-11H2,1H3
InChIKeyIZHCQDBRKBFJOQ-UHFFFAOYSA-N
XLogP1.21
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[3.5]nonan-7-yl]ethanone?
The IUPAC name of 2-methoxy-1-[2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[3.5]nonan-7-yl]ethanone (CID 3234517) is 2-methoxy-1-[2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[3.5]nonan-7-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[3.5]nonan-7-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[3.5]nonan-7-yl]ethanone is COCC(=O)N1CCC2(CC1)CN(Cc1nccs1)C2.
What is the InChIKey of 2-methoxy-1-[2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[3.5]nonan-7-yl]ethanone?
The InChIKey is IZHCQDBRKBFJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-19-9-13(18)17-5-2-14(3-6-17)10-16(11-14)8-12-15-4-7-20-12/h4,7H,2-3,5-6,8-11H2,1H3.
What are the key properties of 2-methoxy-1-[2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[3.5]nonan-7-yl]ethanone?
2-methoxy-1-[2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[3.5]nonan-7-yl]ethanone has a molecular weight of 295.41 g/mol, XLogP of 1.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[2-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[3.5]nonan-7-yl]ethanone is sourced from PubChem (CID 3234517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).