2-ethoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide

C7H8F3N3O2S — CID 3155099

IUPAC2-ethoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCCOCC(=O)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C7H8F3N3O2S/c1-2-15-3-4(14)11-6-13-12-5(16-6)7(8,9)10/h2-3H2,1H3,(H,11,13,14)
InChIKeyMFOIGDSBJXPBEI-UHFFFAOYSA-N
MW255.22 g/mol
LogP1.53
Rot. Bonds4

About 2-ethoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide

2-ethoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 3155099) has the molecular formula C7H8F3N3O2S and a molecular weight of 255.22 g/mol. Its IUPAC name is 2-ethoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-ethoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID3155099
Molecular FormulaC7H8F3N3O2S
Molecular Weight255.22 g/mol
Exact Mass255.03
IUPAC Name2-ethoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCCOCC(=O)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C7H8F3N3O2S/c1-2-15-3-4(14)11-6-13-12-5(16-6)7(8,9)10/h2-3H2,1H3,(H,11,13,14)
InChIKeyMFOIGDSBJXPBEI-UHFFFAOYSA-N
XLogP1.53
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.22
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-ethoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 3155099) is 2-ethoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-ethoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-ethoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide is CCOCC(=O)Nc1nnc(C(F)(F)F)s1.
What is the InChIKey of 2-ethoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is MFOIGDSBJXPBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O2S/c1-2-15-3-4(14)11-6-13-12-5(16-6)7(8,9)10/h2-3H2,1H3,(H,11,13,14).
What are the key properties of 2-ethoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide?
2-ethoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 255.22 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 3155099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).