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

C18H13FN4O2S2 — CID 8840364

IUPAC2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
SMILESCc1cccc2sc(NC(=O)CSc3nnc(-c4ccc(F)cc4)o3)nc12
InChIInChI=1S/C18H13FN4O2S2/c1-10-3-2-4-13-15(10)21-17(27-13)20-14(24)9-26-18-23-22-16(25-18)11-5-7-12(19)8-6-11/h2-8H,9H2,1H3,(H,20,21,24)
InChIKeyWEEIIQILEIDYOM-UHFFFAOYSA-N
MW400.46 g/mol
LogP4.52
Rot. Bonds5

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

2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide (PubChem CID 8840364) has the molecular formula C18H13FN4O2S2 and a molecular weight of 400.46 g/mol. Its IUPAC name is 2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
PubChem CID8840364
Molecular FormulaC18H13FN4O2S2
Molecular Weight400.46 g/mol
Exact Mass400.05
IUPAC Name2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
SMILESCc1cccc2sc(NC(=O)CSc3nnc(-c4ccc(F)cc4)o3)nc12
InChIInChI=1S/C18H13FN4O2S2/c1-10-3-2-4-13-15(10)21-17(27-13)20-14(24)9-26-18-23-22-16(25-18)11-5-7-12(19)8-6-11/h2-8H,9H2,1H3,(H,20,21,24)
InChIKeyWEEIIQILEIDYOM-UHFFFAOYSA-N
XLogP4.52
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide (CID 8840364) is 2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide is Cc1cccc2sc(NC(=O)CSc3nnc(-c4ccc(F)cc4)o3)nc12.
What is the InChIKey of 2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is WEEIIQILEIDYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4O2S2/c1-10-3-2-4-13-15(10)21-17(27-13)20-14(24)9-26-18-23-22-16(25-18)11-5-7-12(19)8-6-11/h2-8H,9H2,1H3,(H,20,21,24).
What are the key properties of 2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide?
2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 400.46 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 8840364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).