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

C12H10F3N3O2S — CID 19065557

IUPACN-methyl-N-[2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]phenyl]acetamide
SMILESCC(=O)N(C)c1ccccc1Oc1nnc(C(F)(F)F)s1
InChIInChI=1S/C12H10F3N3O2S/c1-7(19)18(2)8-5-3-4-6-9(8)20-11-17-16-10(21-11)12(13,14)15/h3-6H,1-2H3
InChIKeyCKHHQGPKCIZTMS-UHFFFAOYSA-N
MW317.29 g/mol
LogP3.33
Rot. Bonds3

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

N-methyl-N-[2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]phenyl]acetamide (PubChem CID 19065557) has the molecular formula C12H10F3N3O2S and a molecular weight of 317.29 g/mol. Its IUPAC name is N-methyl-N-[2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]phenyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]phenyl]acetamide
PubChem CID19065557
Molecular FormulaC12H10F3N3O2S
Molecular Weight317.29 g/mol
Exact Mass317.04
IUPAC NameN-methyl-N-[2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]phenyl]acetamide
SMILESCC(=O)N(C)c1ccccc1Oc1nnc(C(F)(F)F)s1
InChIInChI=1S/C12H10F3N3O2S/c1-7(19)18(2)8-5-3-4-6-9(8)20-11-17-16-10(21-11)12(13,14)15/h3-6H,1-2H3
InChIKeyCKHHQGPKCIZTMS-UHFFFAOYSA-N
XLogP3.33
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.29
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]phenyl]acetamide?
The IUPAC name of N-methyl-N-[2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]phenyl]acetamide (CID 19065557) is N-methyl-N-[2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]phenyl]acetamide.
What is the SMILES notation for N-methyl-N-[2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]phenyl]acetamide?
The canonical SMILES for N-methyl-N-[2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]phenyl]acetamide is CC(=O)N(C)c1ccccc1Oc1nnc(C(F)(F)F)s1.
What is the InChIKey of N-methyl-N-[2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]phenyl]acetamide?
The InChIKey is CKHHQGPKCIZTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O2S/c1-7(19)18(2)8-5-3-4-6-9(8)20-11-17-16-10(21-11)12(13,14)15/h3-6H,1-2H3.
What are the key properties of N-methyl-N-[2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]phenyl]acetamide?
N-methyl-N-[2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]phenyl]acetamide has a molecular weight of 317.29 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]phenyl]acetamide is sourced from PubChem (CID 19065557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).