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

C11H8F3N3O2S — CID 38782433

IUPAC2-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCOc1ccccc1C(=O)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C11H8F3N3O2S/c1-19-7-5-3-2-4-6(7)8(18)15-10-17-16-9(20-10)11(12,13)14/h2-5H,1H3,(H,15,17,18)
InChIKeyUQHXDIPEZBDEPX-UHFFFAOYSA-N
MW303.27 g/mol
LogP2.82
Rot. Bonds3

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

2-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 38782433) has the molecular formula C11H8F3N3O2S and a molecular weight of 303.27 g/mol. Its IUPAC name is 2-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID38782433
Molecular FormulaC11H8F3N3O2S
Molecular Weight303.27 g/mol
Exact Mass303.03
IUPAC Name2-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESCOc1ccccc1C(=O)Nc1nnc(C(F)(F)F)s1
InChIInChI=1S/C11H8F3N3O2S/c1-19-7-5-3-2-4-6(7)8(18)15-10-17-16-9(20-10)11(12,13)14/h2-5H,1H3,(H,15,17,18)
InChIKeyUQHXDIPEZBDEPX-UHFFFAOYSA-N
XLogP2.82
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 52.82
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]benzamide?
The IUPAC name of 2-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide (CID 38782433) is 2-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 2-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 2-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide is COc1ccccc1C(=O)Nc1nnc(C(F)(F)F)s1.
What is the InChIKey of 2-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is UQHXDIPEZBDEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O2S/c1-19-7-5-3-2-4-6(7)8(18)15-10-17-16-9(20-10)11(12,13)14/h2-5H,1H3,(H,15,17,18).
What are the key properties of 2-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide?
2-methoxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 303.27 g/mol, XLogP of 2.82, 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]benzamide is sourced from PubChem (CID 38782433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).