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

C6H6F3N3O2S — CID 3151646

IUPAC2-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCOCC(=O)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C6H6F3N3O2S/c1-14-2-3(13)10-5-12-11-4(15-5)6(7,8)9/h2H2,1H3,(H,10,12,13)
InChIKeyMBWYLNSSVFWSCE-UHFFFAOYSA-N
MW241.19 g/mol
LogP1.14
Rot. Bonds3

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

2-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 3151646) has the molecular formula C6H6F3N3O2S and a molecular weight of 241.19 g/mol. Its IUPAC name is 2-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID3151646
Molecular FormulaC6H6F3N3O2S
Molecular Weight241.19 g/mol
Exact Mass241.01
IUPAC Name2-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCOCC(=O)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C6H6F3N3O2S/c1-14-2-3(13)10-5-12-11-4(15-5)6(7,8)9/h2H2,1H3,(H,10,12,13)
InChIKeyMBWYLNSSVFWSCE-UHFFFAOYSA-N
XLogP1.14
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.19
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 3151646) is 2-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide is COCC(=O)Nc1nnc(C(F)(F)F)s1.
What is the InChIKey of 2-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is MBWYLNSSVFWSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3O2S/c1-14-2-3(13)10-5-12-11-4(15-5)6(7,8)9/h2H2,1H3,(H,10,12,13).
What are the key properties of 2-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide?
2-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 241.19 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 3151646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).