N-(4-chloro-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide

C15H8ClF3N2OS — CID 4246552

IUPACN-(4-chloro-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1nc2c(Cl)cccc2s1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H8ClF3N2OS/c16-10-5-2-6-11-12(10)20-14(23-11)21-13(22)8-3-1-4-9(7-8)15(17,18)19/h1-7H,(H,20,21,22)
InChIKeyPNVYCKQPBHAVLU-UHFFFAOYSA-N
MW356.76 g/mol
LogP5.22
Rot. Bonds2

About N-(4-chloro-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide

N-(4-chloro-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide (PubChem CID 4246552) has the molecular formula C15H8ClF3N2OS and a molecular weight of 356.76 g/mol. Its IUPAC name is N-(4-chloro-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(4-chloro-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide
PubChem CID4246552
Molecular FormulaC15H8ClF3N2OS
Molecular Weight356.76 g/mol
Exact Mass356.00
IUPAC NameN-(4-chloro-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1nc2c(Cl)cccc2s1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H8ClF3N2OS/c16-10-5-2-6-11-12(10)20-14(23-11)21-13(22)8-3-1-4-9(7-8)15(17,18)19/h1-7H,(H,20,21,22)
InChIKeyPNVYCKQPBHAVLU-UHFFFAOYSA-N
XLogP5.22
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.76
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-chloro-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(4-chloro-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide (CID 4246552) is N-(4-chloro-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(4-chloro-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(4-chloro-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide is O=C(Nc1nc2c(Cl)cccc2s1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(4-chloro-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide?
The InChIKey is PNVYCKQPBHAVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClF3N2OS/c16-10-5-2-6-11-12(10)20-14(23-11)21-13(22)8-3-1-4-9(7-8)15(17,18)19/h1-7H,(H,20,21,22).
What are the key properties of N-(4-chloro-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide?
N-(4-chloro-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide has a molecular weight of 356.76 g/mol, XLogP of 5.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 4246552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).