2-(1,3-benzothiazol-5-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide

C17H9F3N4O2S — CID 175729449

IUPAC2-(1,3-benzothiazol-5-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESNC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1-c1ccc2scnc2c1
InChIInChI=1S/C17H9F3N4O2S/c18-17(19,20)16-23-15(24-26-16)9-1-3-10(14(21)25)11(5-9)8-2-4-13-12(6-8)22-7-27-13/h1-7H,(H2,21,25)
InChIKeyQKLDXOKAYDIJOY-UHFFFAOYSA-N
MW390.35 g/mol
LogP4.13
Rot. Bonds3

About 2-(1,3-benzothiazol-5-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide

2-(1,3-benzothiazol-5-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (PubChem CID 175729449) has the molecular formula C17H9F3N4O2S and a molecular weight of 390.35 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-5-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-5-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
PubChem CID175729449
Molecular FormulaC17H9F3N4O2S
Molecular Weight390.35 g/mol
Exact Mass390.04
IUPAC Name2-(1,3-benzothiazol-5-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESNC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1-c1ccc2scnc2c1
InChIInChI=1S/C17H9F3N4O2S/c18-17(19,20)16-23-15(24-26-16)9-1-3-10(14(21)25)11(5-9)8-2-4-13-12(6-8)22-7-27-13/h1-7H,(H2,21,25)
InChIKeyQKLDXOKAYDIJOY-UHFFFAOYSA-N
XLogP4.13
TPSA94.90 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 ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-ethynylphenyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 175729542
2-(4-bromonaphthalen-1-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 175729381
2-fluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzaldehyde
CID 129270584
2-[(2R)-1-(3-azabicyclo[3.2.1]octan-3-yl)propan-2-yl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 140897758
1-[2-fluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(3,3,3-trifluoropropylsulfanyl)ethanone
CID 155193178
1-[2-fluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(1,3-thiazol-4-ylmethylsulfanyl)ethanone
CID 155193223
2-fluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-N-[4-(trifluoromethyl)phenyl]benzamide
CID 178047398
2-fluoro-N-prop-2-enyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 138489832
2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetic acid
CID 71230879
2-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzenecarbothioamide
CID 168862218
N-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 19847727
[(1R)-1-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]ethyl] carbamate
CID 142514355

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-5-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The IUPAC name of 2-(1,3-benzothiazol-5-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (CID 175729449) is 2-(1,3-benzothiazol-5-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.
What is the SMILES notation for 2-(1,3-benzothiazol-5-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The canonical SMILES for 2-(1,3-benzothiazol-5-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1-c1ccc2scnc2c1.
What is the InChIKey of 2-(1,3-benzothiazol-5-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The InChIKey is QKLDXOKAYDIJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F3N4O2S/c18-17(19,20)16-23-15(24-26-16)9-1-3-10(14(21)25)11(5-9)8-2-4-13-12(6-8)22-7-27-13/h1-7H,(H2,21,25).
What are the key properties of 2-(1,3-benzothiazol-5-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
2-(1,3-benzothiazol-5-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide has a molecular weight of 390.35 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-5-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is sourced from PubChem (CID 175729449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).