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

C10H5BrF3N3O2S — CID 10044517

IUPAC5-bromo-2-hydroxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(C(F)(F)F)s1)c1cc(Br)ccc1O
InChIInChI=1S/C10H5BrF3N3O2S/c11-4-1-2-6(18)5(3-4)7(19)15-9-17-16-8(20-9)10(12,13)14/h1-3,18H,(H,15,17,19)
InChIKeyYFFHMQAUBCOUAB-UHFFFAOYSA-N
MW368.13 g/mol
LogP3.28
Rot. Bonds2

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

5-bromo-2-hydroxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 10044517) has the molecular formula C10H5BrF3N3O2S and a molecular weight of 368.13 g/mol. Its IUPAC name is 5-bromo-2-hydroxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name5-bromo-2-hydroxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID10044517
Molecular FormulaC10H5BrF3N3O2S
Molecular Weight368.13 g/mol
Exact Mass366.92
IUPAC Name5-bromo-2-hydroxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(C(F)(F)F)s1)c1cc(Br)ccc1O
InChIInChI=1S/C10H5BrF3N3O2S/c11-4-1-2-6(18)5(3-4)7(19)15-9-17-16-8(20-9)10(12,13)14/h1-3,18H,(H,15,17,19)
InChIKeyYFFHMQAUBCOUAB-UHFFFAOYSA-N
XLogP3.28
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.13
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-hydroxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 5-bromo-2-hydroxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide (CID 10044517) is 5-bromo-2-hydroxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 5-bromo-2-hydroxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 5-bromo-2-hydroxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide is O=C(Nc1nnc(C(F)(F)F)s1)c1cc(Br)ccc1O.
What is the InChIKey of 5-bromo-2-hydroxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is YFFHMQAUBCOUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrF3N3O2S/c11-4-1-2-6(18)5(3-4)7(19)15-9-17-16-8(20-9)10(12,13)14/h1-3,18H,(H,15,17,19).
What are the key properties of 5-bromo-2-hydroxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide?
5-bromo-2-hydroxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 368.13 g/mol, XLogP of 3.28, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydroxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 10044517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).