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

C10H6F3N3OS — CID 569481

IUPACN-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(C(F)(F)F)s1)c1ccccc1
InChIInChI=1S/C10H6F3N3OS/c11-10(12,13)8-15-16-9(18-8)14-7(17)6-4-2-1-3-5-6/h1-5H,(H,14,16,17)
InChIKeyFKRDLJBIMKZEST-UHFFFAOYSA-N
MW273.24 g/mol
LogP2.81
Rot. Bonds2

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

N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 569481) has the molecular formula C10H6F3N3OS and a molecular weight of 273.24 g/mol. Its IUPAC name is N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID569481
Molecular FormulaC10H6F3N3OS
Molecular Weight273.24 g/mol
Exact Mass273.02
IUPAC NameN-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(C(F)(F)F)s1)c1ccccc1
InChIInChI=1S/C10H6F3N3OS/c11-10(12,13)8-15-16-9(18-8)14-7(17)6-4-2-1-3-5-6/h1-5H,(H,14,16,17)
InChIKeyFKRDLJBIMKZEST-UHFFFAOYSA-N
XLogP2.81
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.24
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide (CID 569481) is N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide is O=C(Nc1nnc(C(F)(F)F)s1)c1ccccc1.
What is the InChIKey of N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is FKRDLJBIMKZEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3N3OS/c11-10(12,13)8-15-16-9(18-8)14-7(17)6-4-2-1-3-5-6/h1-5H,(H,14,16,17).
What are the key properties of N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide?
N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 273.24 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 569481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).