N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide

C17H9F3N4O2S — CID 43972313

IUPACN-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide
SMILESO=C(Nc1nnc(-c2ccc(C(F)(F)F)cc2)o1)c1ccc2ncsc2c1
InChIInChI=1S/C17H9F3N4O2S/c18-17(19,20)11-4-1-9(2-5-11)15-23-24-16(26-15)22-14(25)10-3-6-12-13(7-10)27-8-21-12/h1-8H,(H,22,24,25)
InChIKeyJNNBAMVEOPRWDZ-UHFFFAOYSA-N
MW390.35 g/mol
LogP4.62
Rot. Bonds3

About N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide

N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide (PubChem CID 43972313) has the molecular formula C17H9F3N4O2S and a molecular weight of 390.35 g/mol. Its IUPAC name is N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide
PubChem CID43972313
Molecular FormulaC17H9F3N4O2S
Molecular Weight390.35 g/mol
Exact Mass390.04
IUPAC NameN-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide
SMILESO=C(Nc1nnc(-c2ccc(C(F)(F)F)cc2)o1)c1ccc2ncsc2c1
InChIInChI=1S/C17H9F3N4O2S/c18-17(19,20)11-4-1-9(2-5-11)15-23-24-16(26-15)22-14(25)10-3-6-12-13(7-10)27-8-21-12/h1-8H,(H,22,24,25)
InChIKeyJNNBAMVEOPRWDZ-UHFFFAOYSA-N
XLogP4.62
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.35
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43972349
N-[5-(3-propan-2-ylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide
CID 41228667
N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide
CID 7533286
N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-3-(trifluoromethylsulfanyl)benzamide
CID 155239262
N-(5-benzyl-1,3,4-oxadiazol-2-yl)-1,3-benzothiazole-6-carboxamide
CID 16917410
4-ethylsulfanyl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43972474
N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide
CID 43973672
4-(dimethylsulfamoyl)-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43972303
N-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 170341324
4-bromo-N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16821866
N-[4-(2,2,2-trifluoroethoxy)phenyl]-1,3-benzothiazole-6-carboxamide
CID 17481716
5-methyl-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-1,2-oxazole-3-carboxamide
CID 43972322

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide (CID 43972313) is N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide is O=C(Nc1nnc(-c2ccc(C(F)(F)F)cc2)o1)c1ccc2ncsc2c1.
What is the InChIKey of N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide?
The InChIKey is JNNBAMVEOPRWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F3N4O2S/c18-17(19,20)11-4-1-9(2-5-11)15-23-24-16(26-15)22-14(25)10-3-6-12-13(7-10)27-8-21-12/h1-8H,(H,22,24,25).
What are the key properties of N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide?
N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide has a molecular weight of 390.35 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 43972313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).