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

C12H10F3N3O2S — CID 17218037

IUPAC2-(2-methylphenoxy)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCc1ccccc1OCC(=O)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C12H10F3N3O2S/c1-7-4-2-3-5-8(7)20-6-9(19)16-11-18-17-10(21-11)12(13,14)15/h2-5H,6H2,1H3,(H,16,18,19)
InChIKeyZYEXIHOWQTXHDO-UHFFFAOYSA-N
MW317.29 g/mol
LogP2.88
Rot. Bonds4

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

2-(2-methylphenoxy)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 17218037) has the molecular formula C12H10F3N3O2S and a molecular weight of 317.29 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-methylphenoxy)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID17218037
Molecular FormulaC12H10F3N3O2S
Molecular Weight317.29 g/mol
Exact Mass317.04
IUPAC Name2-(2-methylphenoxy)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCc1ccccc1OCC(=O)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C12H10F3N3O2S/c1-7-4-2-3-5-8(7)20-6-9(19)16-11-18-17-10(21-11)12(13,14)15/h2-5H,6H2,1H3,(H,16,18,19)
InChIKeyZYEXIHOWQTXHDO-UHFFFAOYSA-N
XLogP2.88
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.29
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-(2-methylphenoxy)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 17218037) is 2-(2-methylphenoxy)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(2-methylphenoxy)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-(2-methylphenoxy)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide is Cc1ccccc1OCC(=O)Nc1nnc(C(F)(F)F)s1.
What is the InChIKey of 2-(2-methylphenoxy)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is ZYEXIHOWQTXHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O2S/c1-7-4-2-3-5-8(7)20-6-9(19)16-11-18-17-10(21-11)12(13,14)15/h2-5H,6H2,1H3,(H,16,18,19).
What are the key properties of 2-(2-methylphenoxy)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide?
2-(2-methylphenoxy)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 317.29 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 17218037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).