N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide

C17H10F6N2OS — CID 77106661

IUPACN-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1cccc(C(F)(F)F)c1)Nc1nc2ccc(C(F)(F)F)cc2s1
InChIInChI=1S/C17H10F6N2OS/c18-16(19,20)10-3-1-2-9(6-10)7-14(26)25-15-24-12-5-4-11(17(21,22)23)8-13(12)27-15/h1-6,8H,7H2,(H,24,25,26)
InChIKeyCBWVOWROPNQRTF-UHFFFAOYSA-N
MW404.34 g/mol
LogP5.52
Rot. Bonds3

About N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide

N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 77106661) has the molecular formula C17H10F6N2OS and a molecular weight of 404.34 g/mol. Its IUPAC name is N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID77106661
Molecular FormulaC17H10F6N2OS
Molecular Weight404.34 g/mol
Exact Mass404.04
IUPAC NameN-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1cccc(C(F)(F)F)c1)Nc1nc2ccc(C(F)(F)F)cc2s1
InChIInChI=1S/C17H10F6N2OS/c18-16(19,20)10-3-1-2-9(6-10)7-14(26)25-15-24-12-5-4-11(17(21,22)23)8-13(12)27-15/h1-6,8H,7H2,(H,24,25,26)
InChIKeyCBWVOWROPNQRTF-UHFFFAOYSA-N
XLogP5.52
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.34
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide (CID 77106661) is N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide is O=C(Cc1cccc(C(F)(F)F)c1)Nc1nc2ccc(C(F)(F)F)cc2s1.
What is the InChIKey of N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is CBWVOWROPNQRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F6N2OS/c18-16(19,20)10-3-1-2-9(6-10)7-14(26)25-15-24-12-5-4-11(17(21,22)23)8-13(12)27-15/h1-6,8H,7H2,(H,24,25,26).
What are the key properties of N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide?
N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 404.34 g/mol, XLogP of 5.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 77106661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).