N-benzo[g][1,3]benzothiazol-2-yl-3-(trifluoromethyl)benzamide

C19H11F3N2OS — CID 3535303

IUPACN-benzo[g][1,3]benzothiazol-2-yl-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1nc2ccc3ccccc3c2s1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H11F3N2OS/c20-19(21,22)13-6-3-5-12(10-13)17(25)24-18-23-15-9-8-11-4-1-2-7-14(11)16(15)26-18/h1-10H,(H,23,24,25)
InChIKeyAXYORSCESCYMIT-UHFFFAOYSA-N
MW372.37 g/mol
LogP5.72
Rot. Bonds2

About N-benzo[g][1,3]benzothiazol-2-yl-3-(trifluoromethyl)benzamide

N-benzo[g][1,3]benzothiazol-2-yl-3-(trifluoromethyl)benzamide (PubChem CID 3535303) has the molecular formula C19H11F3N2OS and a molecular weight of 372.37 g/mol. Its IUPAC name is N-benzo[g][1,3]benzothiazol-2-yl-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-benzo[g][1,3]benzothiazol-2-yl-3-(trifluoromethyl)benzamide
PubChem CID3535303
Molecular FormulaC19H11F3N2OS
Molecular Weight372.37 g/mol
Exact Mass372.05
IUPAC NameN-benzo[g][1,3]benzothiazol-2-yl-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1nc2ccc3ccccc3c2s1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H11F3N2OS/c20-19(21,22)13-6-3-5-12(10-13)17(25)24-18-23-15-9-8-11-4-1-2-7-14(11)16(15)26-18/h1-10H,(H,23,24,25)
InChIKeyAXYORSCESCYMIT-UHFFFAOYSA-N
XLogP5.72
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.37
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzo[g][1,3]benzothiazol-2-yl-3-(trifluoromethyl)benzamide?
The IUPAC name of N-benzo[g][1,3]benzothiazol-2-yl-3-(trifluoromethyl)benzamide (CID 3535303) is N-benzo[g][1,3]benzothiazol-2-yl-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-benzo[g][1,3]benzothiazol-2-yl-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-benzo[g][1,3]benzothiazol-2-yl-3-(trifluoromethyl)benzamide is O=C(Nc1nc2ccc3ccccc3c2s1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-benzo[g][1,3]benzothiazol-2-yl-3-(trifluoromethyl)benzamide?
The InChIKey is AXYORSCESCYMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F3N2OS/c20-19(21,22)13-6-3-5-12(10-13)17(25)24-18-23-15-9-8-11-4-1-2-7-14(11)16(15)26-18/h1-10H,(H,23,24,25).
What are the key properties of N-benzo[g][1,3]benzothiazol-2-yl-3-(trifluoromethyl)benzamide?
N-benzo[g][1,3]benzothiazol-2-yl-3-(trifluoromethyl)benzamide has a molecular weight of 372.37 g/mol, XLogP of 5.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzo[g][1,3]benzothiazol-2-yl-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 3535303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).