2-(6,6-difluoro-1,4-oxazepan-4-yl)-N-methyl-N-(1,3-thiazol-2-yl)acetamide

C11H15F2N3O2S — CID 126808232

IUPAC2-(6,6-difluoro-1,4-oxazepan-4-yl)-N-methyl-N-(1,3-thiazol-2-yl)acetamide
SMILESCN(C(=O)CN1CCOCC(F)(F)C1)c1nccs1
InChIInChI=1S/C11H15F2N3O2S/c1-15(10-14-2-5-19-10)9(17)6-16-3-4-18-8-11(12,13)7-16/h2,5H,3-4,6-8H2,1H3
InChIKeyKETATWIYYRPRHH-UHFFFAOYSA-N
MW291.32 g/mol
LogP1.07
Rot. Bonds3

About 2-(6,6-difluoro-1,4-oxazepan-4-yl)-N-methyl-N-(1,3-thiazol-2-yl)acetamide

2-(6,6-difluoro-1,4-oxazepan-4-yl)-N-methyl-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 126808232) has the molecular formula C11H15F2N3O2S and a molecular weight of 291.32 g/mol. Its IUPAC name is 2-(6,6-difluoro-1,4-oxazepan-4-yl)-N-methyl-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(6,6-difluoro-1,4-oxazepan-4-yl)-N-methyl-N-(1,3-thiazol-2-yl)acetamide
PubChem CID126808232
Molecular FormulaC11H15F2N3O2S
Molecular Weight291.32 g/mol
Exact Mass291.09
IUPAC Name2-(6,6-difluoro-1,4-oxazepan-4-yl)-N-methyl-N-(1,3-thiazol-2-yl)acetamide
SMILESCN(C(=O)CN1CCOCC(F)(F)C1)c1nccs1
InChIInChI=1S/C11H15F2N3O2S/c1-15(10-14-2-5-19-10)9(17)6-16-3-4-18-8-11(12,13)7-16/h2,5H,3-4,6-8H2,1H3
InChIKeyKETATWIYYRPRHH-UHFFFAOYSA-N
XLogP1.07
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6,6-difluoro-1,4-oxazepan-4-yl)-N-methyl-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(6,6-difluoro-1,4-oxazepan-4-yl)-N-methyl-N-(1,3-thiazol-2-yl)acetamide (CID 126808232) is 2-(6,6-difluoro-1,4-oxazepan-4-yl)-N-methyl-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(6,6-difluoro-1,4-oxazepan-4-yl)-N-methyl-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(6,6-difluoro-1,4-oxazepan-4-yl)-N-methyl-N-(1,3-thiazol-2-yl)acetamide is CN(C(=O)CN1CCOCC(F)(F)C1)c1nccs1.
What is the InChIKey of 2-(6,6-difluoro-1,4-oxazepan-4-yl)-N-methyl-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is KETATWIYYRPRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3O2S/c1-15(10-14-2-5-19-10)9(17)6-16-3-4-18-8-11(12,13)7-16/h2,5H,3-4,6-8H2,1H3.
What are the key properties of 2-(6,6-difluoro-1,4-oxazepan-4-yl)-N-methyl-N-(1,3-thiazol-2-yl)acetamide?
2-(6,6-difluoro-1,4-oxazepan-4-yl)-N-methyl-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 291.32 g/mol, XLogP of 1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,6-difluoro-1,4-oxazepan-4-yl)-N-methyl-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 126808232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).