2,2-difluoro-N-methoxy-2-(1,3-thiazol-2-yl)acetamide

C6H6F2N2O2S — CID 130667088

IUPAC2,2-difluoro-N-methoxy-2-(1,3-thiazol-2-yl)acetamide
SMILESCONC(=O)C(F)(F)c1nccs1
InChIInChI=1S/C6H6F2N2O2S/c1-12-10-4(11)6(7,8)5-9-2-3-13-5/h2-3H,1H3,(H,10,11)
InChIKeyRNYJTCHIGOHWBZ-UHFFFAOYSA-N
MW208.19 g/mol
LogP0.91
Rot. Bonds3

About 2,2-difluoro-N-methoxy-2-(1,3-thiazol-2-yl)acetamide

2,2-difluoro-N-methoxy-2-(1,3-thiazol-2-yl)acetamide (PubChem CID 130667088) has the molecular formula C6H6F2N2O2S and a molecular weight of 208.19 g/mol. Its IUPAC name is 2,2-difluoro-N-methoxy-2-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-methoxy-2-(1,3-thiazol-2-yl)acetamide
PubChem CID130667088
Molecular FormulaC6H6F2N2O2S
Molecular Weight208.19 g/mol
Exact Mass208.01
IUPAC Name2,2-difluoro-N-methoxy-2-(1,3-thiazol-2-yl)acetamide
SMILESCONC(=O)C(F)(F)c1nccs1
InChIInChI=1S/C6H6F2N2O2S/c1-12-10-4(11)6(7,8)5-9-2-3-13-5/h2-3H,1H3,(H,10,11)
InChIKeyRNYJTCHIGOHWBZ-UHFFFAOYSA-N
XLogP0.91
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-methoxy-2-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2,2-difluoro-N-methoxy-2-(1,3-thiazol-2-yl)acetamide (CID 130667088) is 2,2-difluoro-N-methoxy-2-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2,2-difluoro-N-methoxy-2-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2,2-difluoro-N-methoxy-2-(1,3-thiazol-2-yl)acetamide is CONC(=O)C(F)(F)c1nccs1.
What is the InChIKey of 2,2-difluoro-N-methoxy-2-(1,3-thiazol-2-yl)acetamide?
The InChIKey is RNYJTCHIGOHWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2N2O2S/c1-12-10-4(11)6(7,8)5-9-2-3-13-5/h2-3H,1H3,(H,10,11).
What are the key properties of 2,2-difluoro-N-methoxy-2-(1,3-thiazol-2-yl)acetamide?
2,2-difluoro-N-methoxy-2-(1,3-thiazol-2-yl)acetamide has a molecular weight of 208.19 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-methoxy-2-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 130667088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).