2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide

C17H10BrFN4O2S2 — CID 112775052

IUPAC2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide
SMILESO=C(CSc1nnc(-c2ccc(Br)cc2)o1)Nc1nc2ccc(F)cc2s1
InChIInChI=1S/C17H10BrFN4O2S2/c18-10-3-1-9(2-4-10)15-22-23-17(25-15)26-8-14(24)21-16-20-12-6-5-11(19)7-13(12)27-16/h1-7H,8H2,(H,20,21,24)
InChIKeyCSRUSTLUTAIZSW-UHFFFAOYSA-N
MW465.33 g/mol
LogP4.98
Rot. Bonds5

About 2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide

2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide (PubChem CID 112775052) has the molecular formula C17H10BrFN4O2S2 and a molecular weight of 465.33 g/mol. Its IUPAC name is 2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide
PubChem CID112775052
Molecular FormulaC17H10BrFN4O2S2
Molecular Weight465.33 g/mol
Exact Mass463.94
IUPAC Name2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide
SMILESO=C(CSc1nnc(-c2ccc(Br)cc2)o1)Nc1nc2ccc(F)cc2s1
InChIInChI=1S/C17H10BrFN4O2S2/c18-10-3-1-9(2-4-10)15-22-23-17(25-15)26-8-14(24)21-16-20-12-6-5-11(19)7-13(12)27-16/h1-7H,8H2,(H,20,21,24)
InChIKeyCSRUSTLUTAIZSW-UHFFFAOYSA-N
XLogP4.98
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.33
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-fluoro-1,3-benzothiazol-2-yl)-5-phenyl-1,3,4-oxadiazol-2-amine
CID 3243386
N-(4-fluoro-1,3-benzothiazol-2-yl)-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-amine
CID 7109972
2-((Benzo[d]thiazol-2-ylmethyl)thio)-5-(2-bromophenyl)-1,3,4-oxadiazole
CID 2531424
2-(2-Bromophenyl)-5-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanylmethyl)-1,3,4-oxadiazole
CID 2612694
5-(2-chlorophenyl)-N-(6-fluorobenzo[d]thiazol-2-yl)-1,3,4-oxadiazol-2-amine
CID 7110057
N-(6-fluorobenzo[d]thiazol-2-yl)-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-amine
CID 7110058
N-(4-methylphenyl)-4-{[(5-phenyl-1,3,4-oxadiazol-2-yl)thio]methyl}-1,3-thiazol-2-amine
CID 1518529
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
CID 2223329
N-(1,3-Benzothiazol-2-YL)-2-({5-[4-(diethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-YL}sulfanyl)acetamide
CID 3184998
N-(6-(methylthio)benzo[d]thiazol-2-yl)-5-phenyl-1,3,4-oxadiazol-2-amine
CID 8545230
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-{[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide
CID 1168112
2-((5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(4-phenylthiazol-2-yl)acetamide
CID 2155724

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide (CID 112775052) is 2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide is O=C(CSc1nnc(-c2ccc(Br)cc2)o1)Nc1nc2ccc(F)cc2s1.
What is the InChIKey of 2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is CSRUSTLUTAIZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10BrFN4O2S2/c18-10-3-1-9(2-4-10)15-22-23-17(25-15)26-8-14(24)21-16-20-12-6-5-11(19)7-13(12)27-16/h1-7H,8H2,(H,20,21,24).
What are the key properties of 2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide?
2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 465.33 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 112775052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).