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

C17H10BrFN4O2S2 — CID 5097669

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

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

N-(6-bromo-1,3-benzothiazol-2-yl)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 5097669) has the molecular formula C17H10BrFN4O2S2 and a molecular weight of 465.33 g/mol. Its IUPAC name is N-(6-bromo-1,3-benzothiazol-2-yl)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(6-bromo-1,3-benzothiazol-2-yl)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID5097669
Molecular FormulaC17H10BrFN4O2S2
Molecular Weight465.33 g/mol
Exact Mass463.94
IUPAC NameN-(6-bromo-1,3-benzothiazol-2-yl)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESO=C(CSc1nnc(-c2ccc(F)cc2)o1)Nc1nc2ccc(Br)cc2s1
InChIInChI=1S/C17H10BrFN4O2S2/c18-10-3-6-12-13(7-10)27-16(20-12)21-14(24)8-26-17-23-22-15(25-17)9-1-4-11(19)5-2-9/h1-7H,8H2,(H,20,21,24)
InChIKeyRATRUISDTAYFQE-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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Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-1,3-benzothiazol-2-yl)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(6-bromo-1,3-benzothiazol-2-yl)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 5097669) is N-(6-bromo-1,3-benzothiazol-2-yl)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(6-bromo-1,3-benzothiazol-2-yl)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(6-bromo-1,3-benzothiazol-2-yl)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is O=C(CSc1nnc(-c2ccc(F)cc2)o1)Nc1nc2ccc(Br)cc2s1.
What is the InChIKey of N-(6-bromo-1,3-benzothiazol-2-yl)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is RATRUISDTAYFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10BrFN4O2S2/c18-10-3-6-12-13(7-10)27-16(20-12)21-14(24)8-26-17-23-22-15(25-17)9-1-4-11(19)5-2-9/h1-7H,8H2,(H,20,21,24).
What are the key properties of N-(6-bromo-1,3-benzothiazol-2-yl)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-(6-bromo-1,3-benzothiazol-2-yl)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]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 N-(6-bromo-1,3-benzothiazol-2-yl)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 5097669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).