N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethylsulfanyl)benzamide

C14H8F3N3O2S2 — CID 155235644

IUPACN-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethylsulfanyl)benzamide
SMILESO=C(Nc1nnc(-c2cccs2)o1)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C14H8F3N3O2S2/c15-14(16,17)24-9-5-3-8(4-6-9)11(21)18-13-20-19-12(22-13)10-2-1-7-23-10/h1-7H,(H,18,20,21)
InChIKeyBEKMYUSRGRTQHE-UHFFFAOYSA-N
MW371.37 g/mol
LogP4.66
Rot. Bonds4

About N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethylsulfanyl)benzamide

N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethylsulfanyl)benzamide (PubChem CID 155235644) has the molecular formula C14H8F3N3O2S2 and a molecular weight of 371.37 g/mol. Its IUPAC name is N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethylsulfanyl)benzamide
PubChem CID155235644
Molecular FormulaC14H8F3N3O2S2
Molecular Weight371.37 g/mol
Exact Mass371.00
IUPAC NameN-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethylsulfanyl)benzamide
SMILESO=C(Nc1nnc(-c2cccs2)o1)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C14H8F3N3O2S2/c15-14(16,17)24-9-5-3-8(4-6-9)11(21)18-13-20-19-12(22-13)10-2-1-7-23-10/h1-7H,(H,18,20,21)
InChIKeyBEKMYUSRGRTQHE-UHFFFAOYSA-N
XLogP4.66
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.37
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethylsulfanyl)benzamide?
The IUPAC name of N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethylsulfanyl)benzamide (CID 155235644) is N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethylsulfanyl)benzamide.
What is the SMILES notation for N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethylsulfanyl)benzamide?
The canonical SMILES for N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethylsulfanyl)benzamide is O=C(Nc1nnc(-c2cccs2)o1)c1ccc(SC(F)(F)F)cc1.
What is the InChIKey of N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethylsulfanyl)benzamide?
The InChIKey is BEKMYUSRGRTQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3N3O2S2/c15-14(16,17)24-9-5-3-8(4-6-9)11(21)18-13-20-19-12(22-13)10-2-1-7-23-10/h1-7H,(H,18,20,21).
What are the key properties of N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethylsulfanyl)benzamide?
N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethylsulfanyl)benzamide has a molecular weight of 371.37 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethylsulfanyl)benzamide is sourced from PubChem (CID 155235644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).