5-fluoro-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,2,3-benzothiadiazole-7-carboxamide

C16H7F4N5O2S — CID 149497152

IUPAC5-fluoro-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,2,3-benzothiadiazole-7-carboxamide
SMILESO=C(Nc1ccc(-c2noc(C(F)(F)F)n2)cc1)c1cc(F)cc2nnsc12
InChIInChI=1S/C16H7F4N5O2S/c17-8-5-10(12-11(6-8)23-25-28-12)14(26)21-9-3-1-7(2-4-9)13-22-15(27-24-13)16(18,19)20/h1-6H,(H,21,26)
InChIKeyZGGOZRMRJWJHQV-UHFFFAOYSA-N
MW409.32 g/mol
LogP4.15
Rot. Bonds3

About 5-fluoro-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,2,3-benzothiadiazole-7-carboxamide

5-fluoro-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,2,3-benzothiadiazole-7-carboxamide (PubChem CID 149497152) has the molecular formula C16H7F4N5O2S and a molecular weight of 409.32 g/mol. Its IUPAC name is 5-fluoro-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,2,3-benzothiadiazole-7-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,2,3-benzothiadiazole-7-carboxamide
PubChem CID149497152
Molecular FormulaC16H7F4N5O2S
Molecular Weight409.32 g/mol
Exact Mass409.03
IUPAC Name5-fluoro-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,2,3-benzothiadiazole-7-carboxamide
SMILESO=C(Nc1ccc(-c2noc(C(F)(F)F)n2)cc1)c1cc(F)cc2nnsc12
InChIInChI=1S/C16H7F4N5O2S/c17-8-5-10(12-11(6-8)23-25-28-12)14(26)21-9-3-1-7(2-4-9)13-22-15(27-24-13)16(18,19)20/h1-6H,(H,21,26)
InChIKeyZGGOZRMRJWJHQV-UHFFFAOYSA-N
XLogP4.15
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.32
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-fluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-N-[4-(trifluoromethyl)phenyl]benzamide
CID 178047398
N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 19847727
N-naphthalen-2-yl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 175248067
2-methyl-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propanamide
CID 134367043
N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]thiane-4-carboxamide
CID 151555059
N-(6-amino-3-pyridinyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 86813751
1-fluoro-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclopropane-1-carboxamide
CID 134366998
(2S)-2-amino-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]propanamide
CID 119314171
1-(4-fluorophenyl)-3-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]methyl]urea
CID 151255198
N-(2,3-dihydro-1-benzofuran-5-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 91642409
2-anilino-5-methyl-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,3-thiazole-4-carboxamide
CID 146775812
N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]cyclobutanecarboxamide
CID 134367045

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,2,3-benzothiadiazole-7-carboxamide?
The IUPAC name of 5-fluoro-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,2,3-benzothiadiazole-7-carboxamide (CID 149497152) is 5-fluoro-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,2,3-benzothiadiazole-7-carboxamide.
What is the SMILES notation for 5-fluoro-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,2,3-benzothiadiazole-7-carboxamide?
The canonical SMILES for 5-fluoro-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,2,3-benzothiadiazole-7-carboxamide is O=C(Nc1ccc(-c2noc(C(F)(F)F)n2)cc1)c1cc(F)cc2nnsc12.
What is the InChIKey of 5-fluoro-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,2,3-benzothiadiazole-7-carboxamide?
The InChIKey is ZGGOZRMRJWJHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H7F4N5O2S/c17-8-5-10(12-11(6-8)23-25-28-12)14(26)21-9-3-1-7(2-4-9)13-22-15(27-24-13)16(18,19)20/h1-6H,(H,21,26).
What are the key properties of 5-fluoro-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,2,3-benzothiadiazole-7-carboxamide?
5-fluoro-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,2,3-benzothiadiazole-7-carboxamide has a molecular weight of 409.32 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,2,3-benzothiadiazole-7-carboxamide is sourced from PubChem (CID 149497152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).