2-bromo-4-fluoro-N-(thiadiazol-5-yl)benzamide

C9H5BrFN3OS — CID 114912759

IUPAC2-bromo-4-fluoro-N-(thiadiazol-5-yl)benzamide
SMILESO=C(Nc1cnns1)c1ccc(F)cc1Br
InChIInChI=1S/C9H5BrFN3OS/c10-7-3-5(11)1-2-6(7)9(15)13-8-4-12-14-16-8/h1-4H,(H,13,15)
InChIKeyXOVNYYOGLJNYGW-UHFFFAOYSA-N
MW302.13 g/mol
LogP2.69
Rot. Bonds2

About 2-bromo-4-fluoro-N-(thiadiazol-5-yl)benzamide

2-bromo-4-fluoro-N-(thiadiazol-5-yl)benzamide (PubChem CID 114912759) has the molecular formula C9H5BrFN3OS and a molecular weight of 302.13 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-(thiadiazol-5-yl)benzamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-(thiadiazol-5-yl)benzamide
PubChem CID114912759
Molecular FormulaC9H5BrFN3OS
Molecular Weight302.13 g/mol
Exact Mass300.93
IUPAC Name2-bromo-4-fluoro-N-(thiadiazol-5-yl)benzamide
SMILESO=C(Nc1cnns1)c1ccc(F)cc1Br
InChIInChI=1S/C9H5BrFN3OS/c10-7-3-5(11)1-2-6(7)9(15)13-8-4-12-14-16-8/h1-4H,(H,13,15)
InChIKeyXOVNYYOGLJNYGW-UHFFFAOYSA-N
XLogP2.69
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.13
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dibromo-N-(thiadiazol-5-yl)benzamide
CID 103282575
4-chloro-2-fluoro-N-(thiadiazol-5-yl)benzamide
CID 99789672
2-bromo-4-fluoro-N-(thiatriazol-5-yl)benzamide
CID 114912800
5-bromo-2-chloro-N-(thiadiazol-5-yl)benzamide
CID 114912729
5-fluoro-2-(4-hydroxybut-1-ynyl)-N-(thiadiazol-5-yl)benzamide
CID 114913730
1-(4-fluorophenyl)-3-(thiadiazol-5-yl)urea
CID 11379409
2,3-difluoro-N-(thiadiazol-5-yl)pyridine-4-carboxamide
CID 105381676
2-bromo-N-(thiadiazol-5-yl)furan-3-carboxamide
CID 106854439
4-hydroxy-2-methyl-N-(thiadiazol-5-yl)benzamide
CID 103282577
2-bromo-4-fluoro-N-phenylbenzamide
CID 17461201
2-bromo-N-(2,5-difluorophenyl)-4-fluorobenzamide
CID 24710516
3-bromo-4-chloro-N-(thiadiazol-5-yl)benzamide
CID 103282570

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-(thiadiazol-5-yl)benzamide?
The IUPAC name of 2-bromo-4-fluoro-N-(thiadiazol-5-yl)benzamide (CID 114912759) is 2-bromo-4-fluoro-N-(thiadiazol-5-yl)benzamide.
What is the SMILES notation for 2-bromo-4-fluoro-N-(thiadiazol-5-yl)benzamide?
The canonical SMILES for 2-bromo-4-fluoro-N-(thiadiazol-5-yl)benzamide is O=C(Nc1cnns1)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-4-fluoro-N-(thiadiazol-5-yl)benzamide?
The InChIKey is XOVNYYOGLJNYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrFN3OS/c10-7-3-5(11)1-2-6(7)9(15)13-8-4-12-14-16-8/h1-4H,(H,13,15).
What are the key properties of 2-bromo-4-fluoro-N-(thiadiazol-5-yl)benzamide?
2-bromo-4-fluoro-N-(thiadiazol-5-yl)benzamide has a molecular weight of 302.13 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-N-(thiadiazol-5-yl)benzamide is sourced from PubChem (CID 114912759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).