2-methoxy-1-[8-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]ethanone

C14H21N3O4S — CID 134072947

About 2-methoxy-1-[8-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]ethanone

2-methoxy-1-[8-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]ethanone (PubChem CID 134072947) has the molecular formula C14H21N3O4S and a molecular weight of 327.41 g/mol. Its IUPAC name is 2-methoxy-1-[8-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]ethanone.

Molecular Properties

• Compound Name: 2-methoxy-1-[8-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]ethanone
• PubChem CID: 134072947
• Molecular Formula: C14H21N3O4S
• Molecular Weight: 327.41 g/mol
• Exact Mass: 327.13
• IUPAC Name: 2-methoxy-1-[8-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]ethanone
• SMILES: COCC(=O)N1CCOC2(COCCN(c3nccs3)C2)C1
• InChI: InChI=1S/C14H21N3O4S/c1-19-8-12(18)16-4-6-21-14(9-16)10-17(3-5-20-11-14)13-15-2-7-22-13/h2,7H,3-6,8-11H2,1H3
• InChIKey: FORPIUSMEZHVNP-UHFFFAOYSA-N
• XLogP: 0.22
• TPSA: 64.13 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	327.41
LogP ≤ 5	0.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[8-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]ethanone?

The IUPAC name of 2-methoxy-1-[8-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]ethanone (CID 134072947) is 2-methoxy-1-[8-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]ethanone.

What is the SMILES notation for 2-methoxy-1-[8-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]ethanone?

The canonical SMILES for 2-methoxy-1-[8-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]ethanone is COCC(=O)N1CCOC2(COCCN(c3nccs3)C2)C1.

What is the InChIKey of 2-methoxy-1-[8-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]ethanone?

The InChIKey is FORPIUSMEZHVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4S/c1-19-8-12(18)16-4-6-21-14(9-16)10-17(3-5-20-11-14)13-15-2-7-22-13/h2,7H,3-6,8-11H2,1H3.

What are the key properties of 2-methoxy-1-[8-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]ethanone?

2-methoxy-1-[8-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]ethanone has a molecular weight of 327.41 g/mol, XLogP of 0.22, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxy-1-[8-(1,3-thiazol-2-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]ethanone is sourced from PubChem (CID 134072947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).