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

C14H12F3N3O3S — CID 38782533

IUPAC2-(4-propanoylphenoxy)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCCC(=O)c1ccc(OCC(=O)Nc2nnc(C(F)(F)F)s2)cc1
InChIInChI=1S/C14H12F3N3O3S/c1-2-10(21)8-3-5-9(6-4-8)23-7-11(22)18-13-20-19-12(24-13)14(15,16)17/h3-6H,2,7H2,1H3,(H,18,20,22)
InChIKeyOWOYUPUYRQBFGS-UHFFFAOYSA-N
MW359.33 g/mol
LogP3.17
Rot. Bonds6

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

2-(4-propanoylphenoxy)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 38782533) has the molecular formula C14H12F3N3O3S and a molecular weight of 359.33 g/mol. Its IUPAC name is 2-(4-propanoylphenoxy)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-propanoylphenoxy)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID38782533
Molecular FormulaC14H12F3N3O3S
Molecular Weight359.33 g/mol
Exact Mass359.06
IUPAC Name2-(4-propanoylphenoxy)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCCC(=O)c1ccc(OCC(=O)Nc2nnc(C(F)(F)F)s2)cc1
InChIInChI=1S/C14H12F3N3O3S/c1-2-10(21)8-3-5-9(6-4-8)23-7-11(22)18-13-20-19-12(24-13)14(15,16)17/h3-6H,2,7H2,1H3,(H,18,20,22)
InChIKeyOWOYUPUYRQBFGS-UHFFFAOYSA-N
XLogP3.17
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.33
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-(4-propanoylphenoxy)acetamide
CID 8750173
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 51142621
methyl 2-[[2-(4-propanoylphenoxy)acetyl]amino]-1,3-thiazole-5-carboxylate
CID 18101572
2-(4-methoxyphenyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 690614
N-(6-methyl-1,3-benzothiazol-2-yl)-2-(4-propanoylphenoxy)acetamide
CID 7919939
N-(4-ethoxyphenyl)-2-(4-propanoylphenoxy)acetamide
CID 2542308
4,4,4-trifluoro-3-[[2-(4-propanoylphenoxy)acetyl]amino]butanoic acid
CID 46982763
N-(5-methyl-2-pyridinyl)-2-(4-propanoylphenoxy)acetamide
CID 18106801
2-(4-propanoylphenoxy)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 27052429
2-(4-ethylphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 27991376
2-(4-methoxyphenyl)sulfonyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 1484125
N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(4-propanoylphenoxy)acetamide
CID 46601361

Frequently Asked Questions

What is the IUPAC name of 2-(4-propanoylphenoxy)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-(4-propanoylphenoxy)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 38782533) is 2-(4-propanoylphenoxy)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-propanoylphenoxy)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-propanoylphenoxy)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide is CCC(=O)c1ccc(OCC(=O)Nc2nnc(C(F)(F)F)s2)cc1.
What is the InChIKey of 2-(4-propanoylphenoxy)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is OWOYUPUYRQBFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O3S/c1-2-10(21)8-3-5-9(6-4-8)23-7-11(22)18-13-20-19-12(24-13)14(15,16)17/h3-6H,2,7H2,1H3,(H,18,20,22).
What are the key properties of 2-(4-propanoylphenoxy)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide?
2-(4-propanoylphenoxy)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 359.33 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propanoylphenoxy)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 38782533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).