N-ethyl-2,2,2-trifluoro-N-(5-formyl-1,3-thiazol-2-yl)acetamide

C8H7F3N2O2S — CID 22081035

IUPACN-ethyl-2,2,2-trifluoro-N-(5-formyl-1,3-thiazol-2-yl)acetamide
SMILESCCN(C(=O)C(F)(F)F)c1ncc(C=O)s1
InChIInChI=1S/C8H7F3N2O2S/c1-2-13(6(15)8(9,10)11)7-12-3-5(4-14)16-7/h3-4H,2H2,1H3
InChIKeyRPIOXEKWAXQKIT-UHFFFAOYSA-N
MW252.22 g/mol
LogP1.87
Rot. Bonds3

About N-ethyl-2,2,2-trifluoro-N-(5-formyl-1,3-thiazol-2-yl)acetamide

N-ethyl-2,2,2-trifluoro-N-(5-formyl-1,3-thiazol-2-yl)acetamide (PubChem CID 22081035) has the molecular formula C8H7F3N2O2S and a molecular weight of 252.22 g/mol. Its IUPAC name is N-ethyl-2,2,2-trifluoro-N-(5-formyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-2,2,2-trifluoro-N-(5-formyl-1,3-thiazol-2-yl)acetamide
PubChem CID22081035
Molecular FormulaC8H7F3N2O2S
Molecular Weight252.22 g/mol
Exact Mass252.02
IUPAC NameN-ethyl-2,2,2-trifluoro-N-(5-formyl-1,3-thiazol-2-yl)acetamide
SMILESCCN(C(=O)C(F)(F)F)c1ncc(C=O)s1
InChIInChI=1S/C8H7F3N2O2S/c1-2-13(6(15)8(9,10)11)7-12-3-5(4-14)16-7/h3-4H,2H2,1H3
InChIKeyRPIOXEKWAXQKIT-UHFFFAOYSA-N
XLogP1.87
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.22
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2,2-trifluoro-N-(5-formyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of N-ethyl-2,2,2-trifluoro-N-(5-formyl-1,3-thiazol-2-yl)acetamide (CID 22081035) is N-ethyl-2,2,2-trifluoro-N-(5-formyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for N-ethyl-2,2,2-trifluoro-N-(5-formyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for N-ethyl-2,2,2-trifluoro-N-(5-formyl-1,3-thiazol-2-yl)acetamide is CCN(C(=O)C(F)(F)F)c1ncc(C=O)s1.
What is the InChIKey of N-ethyl-2,2,2-trifluoro-N-(5-formyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is RPIOXEKWAXQKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O2S/c1-2-13(6(15)8(9,10)11)7-12-3-5(4-14)16-7/h3-4H,2H2,1H3.
What are the key properties of N-ethyl-2,2,2-trifluoro-N-(5-formyl-1,3-thiazol-2-yl)acetamide?
N-ethyl-2,2,2-trifluoro-N-(5-formyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 252.22 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2,2-trifluoro-N-(5-formyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 22081035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).