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

C17H10F3N3O3S — CID 4303516

IUPACN-[3-oxo-2-[3-(trifluoromethyl)benzoyl]-1,2,4-thiadiazol-5-yl]benzamide
SMILESO=C(Nc1nc(=O)n(C(=O)c2cccc(C(F)(F)F)c2)s1)c1ccccc1
InChIInChI=1S/C17H10F3N3O3S/c18-17(19,20)12-8-4-7-11(9-12)14(25)23-16(26)22-15(27-23)21-13(24)10-5-2-1-3-6-10/h1-9H,(H,21,22,24,26)
InChIKeyHUGUYZYMDZQKPG-UHFFFAOYSA-N
MW393.35 g/mol
LogP3.26
Rot. Bonds3

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

N-[3-oxo-2-[3-(trifluoromethyl)benzoyl]-1,2,4-thiadiazol-5-yl]benzamide (PubChem CID 4303516) has the molecular formula C17H10F3N3O3S and a molecular weight of 393.35 g/mol. Its IUPAC name is N-[3-oxo-2-[3-(trifluoromethyl)benzoyl]-1,2,4-thiadiazol-5-yl]benzamide.

Molecular Properties

Compound NameN-[3-oxo-2-[3-(trifluoromethyl)benzoyl]-1,2,4-thiadiazol-5-yl]benzamide
PubChem CID4303516
Molecular FormulaC17H10F3N3O3S
Molecular Weight393.35 g/mol
Exact Mass393.04
IUPAC NameN-[3-oxo-2-[3-(trifluoromethyl)benzoyl]-1,2,4-thiadiazol-5-yl]benzamide
SMILESO=C(Nc1nc(=O)n(C(=O)c2cccc(C(F)(F)F)c2)s1)c1ccccc1
InChIInChI=1S/C17H10F3N3O3S/c18-17(19,20)12-8-4-7-11(9-12)14(25)23-16(26)22-15(27-23)21-13(24)10-5-2-1-3-6-10/h1-9H,(H,21,22,24,26)
InChIKeyHUGUYZYMDZQKPG-UHFFFAOYSA-N
XLogP3.26
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.35
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-2-[3-(trifluoromethyl)benzoyl]-1,2,4-thiadiazol-5-yl]benzamide?
The IUPAC name of N-[3-oxo-2-[3-(trifluoromethyl)benzoyl]-1,2,4-thiadiazol-5-yl]benzamide (CID 4303516) is N-[3-oxo-2-[3-(trifluoromethyl)benzoyl]-1,2,4-thiadiazol-5-yl]benzamide.
What is the SMILES notation for N-[3-oxo-2-[3-(trifluoromethyl)benzoyl]-1,2,4-thiadiazol-5-yl]benzamide?
The canonical SMILES for N-[3-oxo-2-[3-(trifluoromethyl)benzoyl]-1,2,4-thiadiazol-5-yl]benzamide is O=C(Nc1nc(=O)n(C(=O)c2cccc(C(F)(F)F)c2)s1)c1ccccc1.
What is the InChIKey of N-[3-oxo-2-[3-(trifluoromethyl)benzoyl]-1,2,4-thiadiazol-5-yl]benzamide?
The InChIKey is HUGUYZYMDZQKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3N3O3S/c18-17(19,20)12-8-4-7-11(9-12)14(25)23-16(26)22-15(27-23)21-13(24)10-5-2-1-3-6-10/h1-9H,(H,21,22,24,26).
What are the key properties of N-[3-oxo-2-[3-(trifluoromethyl)benzoyl]-1,2,4-thiadiazol-5-yl]benzamide?
N-[3-oxo-2-[3-(trifluoromethyl)benzoyl]-1,2,4-thiadiazol-5-yl]benzamide has a molecular weight of 393.35 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-2-[3-(trifluoromethyl)benzoyl]-1,2,4-thiadiazol-5-yl]benzamide is sourced from PubChem (CID 4303516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).