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

C17H11F3N4O2S — CID 2806956

IUPAC2-benzamido-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(Nc1ccccc1C(=O)Nc1nnc(C(F)(F)F)s1)c1ccccc1
InChIInChI=1S/C17H11F3N4O2S/c18-17(19,20)15-23-24-16(27-15)22-14(26)11-8-4-5-9-12(11)21-13(25)10-6-2-1-3-7-10/h1-9H,(H,21,25)(H,22,24,26)
InChIKeyOMIFALZEMXWVJL-UHFFFAOYSA-N
MW392.36 g/mol
LogP4.06
Rot. Bonds4

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

2-benzamido-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 2806956) has the molecular formula C17H11F3N4O2S and a molecular weight of 392.36 g/mol. Its IUPAC name is 2-benzamido-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-benzamido-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID2806956
Molecular FormulaC17H11F3N4O2S
Molecular Weight392.36 g/mol
Exact Mass392.06
IUPAC Name2-benzamido-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(Nc1ccccc1C(=O)Nc1nnc(C(F)(F)F)s1)c1ccccc1
InChIInChI=1S/C17H11F3N4O2S/c18-17(19,20)15-23-24-16(27-15)22-14(26)11-8-4-5-9-12(11)21-13(25)10-6-2-1-3-7-10/h1-9H,(H,21,25)(H,22,24,26)
InChIKeyOMIFALZEMXWVJL-UHFFFAOYSA-N
XLogP4.06
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.36
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-benzamido-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 2-benzamido-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide (CID 2806956) is 2-benzamido-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 2-benzamido-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 2-benzamido-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide is O=C(Nc1ccccc1C(=O)Nc1nnc(C(F)(F)F)s1)c1ccccc1.
What is the InChIKey of 2-benzamido-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is OMIFALZEMXWVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N4O2S/c18-17(19,20)15-23-24-16(27-15)22-14(26)11-8-4-5-9-12(11)21-13(25)10-6-2-1-3-7-10/h1-9H,(H,21,25)(H,22,24,26).
What are the key properties of 2-benzamido-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide?
2-benzamido-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 392.36 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 2806956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).