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

C10H6F3N3O2S — CID 3440334

IUPAC2-hydroxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(C(F)(F)F)s1)c1ccccc1O
InChIInChI=1S/C10H6F3N3O2S/c11-10(12,13)8-15-16-9(19-8)14-7(18)5-3-1-2-4-6(5)17/h1-4,17H,(H,14,16,18)
InChIKeyKULBVPIBXMZBAO-UHFFFAOYSA-N
MW289.24 g/mol
LogP2.51
Rot. Bonds2

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

2-hydroxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 3440334) has the molecular formula C10H6F3N3O2S and a molecular weight of 289.24 g/mol. Its IUPAC name is 2-hydroxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-hydroxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID3440334
Molecular FormulaC10H6F3N3O2S
Molecular Weight289.24 g/mol
Exact Mass289.01
IUPAC Name2-hydroxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(C(F)(F)F)s1)c1ccccc1O
InChIInChI=1S/C10H6F3N3O2S/c11-10(12,13)8-15-16-9(19-8)14-7(18)5-3-1-2-4-6(5)17/h1-4,17H,(H,14,16,18)
InChIKeyKULBVPIBXMZBAO-UHFFFAOYSA-N
XLogP2.51
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.24
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 1121149
2-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 1500051
5-chloro-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-hydroxybenzamide
CID 70681230
5-bromo-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-hydroxybenzamide
CID 70685420
2-Hydroxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 578064
5-chloro-2-hydroxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 30588982
5-bromo-2-hydroxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
CID 35566965
2-hydroxy-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 70683312
N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-hydroxybenzamide
CID 70683314
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-hydroxybenzamide
CID 70695939
2-hydroxy-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 682514
2-hydroxy-N-(2H-tetrazol-5-yl)benzamide
CID 811323

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 2-hydroxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide (CID 3440334) is 2-hydroxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 2-hydroxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 2-hydroxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide is O=C(Nc1nnc(C(F)(F)F)s1)c1ccccc1O.
What is the InChIKey of 2-hydroxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is KULBVPIBXMZBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3N3O2S/c11-10(12,13)8-15-16-9(19-8)14-7(18)5-3-1-2-4-6(5)17/h1-4,17H,(H,14,16,18).
What are the key properties of 2-hydroxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide?
2-hydroxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 289.24 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 3440334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).