N-[4-(trifluoromethyl)phenyl]-1,3-benzothiazole-6-carboxamide

C15H9F3N2OS — CID 2738140

IUPACN-[4-(trifluoromethyl)phenyl]-1,3-benzothiazole-6-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1ccc2ncsc2c1
InChIInChI=1S/C15H9F3N2OS/c16-15(17,18)10-2-4-11(5-3-10)20-14(21)9-1-6-12-13(7-9)22-8-19-12/h1-8H,(H,20,21)
InChIKeyQEAHKXWHLHDKPI-UHFFFAOYSA-N
MW322.31 g/mol
LogP4.57
Rot. Bonds2

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

N-[4-(trifluoromethyl)phenyl]-1,3-benzothiazole-6-carboxamide (PubChem CID 2738140) has the molecular formula C15H9F3N2OS and a molecular weight of 322.31 g/mol. Its IUPAC name is N-[4-(trifluoromethyl)phenyl]-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-[4-(trifluoromethyl)phenyl]-1,3-benzothiazole-6-carboxamide
PubChem CID2738140
Molecular FormulaC15H9F3N2OS
Molecular Weight322.31 g/mol
Exact Mass322.04
IUPAC NameN-[4-(trifluoromethyl)phenyl]-1,3-benzothiazole-6-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1ccc2ncsc2c1
InChIInChI=1S/C15H9F3N2OS/c16-15(17,18)10-2-4-11(5-3-10)20-14(21)9-1-6-12-13(7-9)22-8-19-12/h1-8H,(H,20,21)
InChIKeyQEAHKXWHLHDKPI-UHFFFAOYSA-N
XLogP4.57
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.31
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(pyridin-4-yl)-1,3-benzothiazole-6-carboxamide
CID 18109210
N-[4-(1,3-benzothiazol-2-yl)phenyl]-2,2,2-trifluoroacetamide
CID 685913
2-((4-Aminobenzoyl)amino)-5-(6-methyl-2-benzothiazolyl)benzenesulfonic acid
CID 231116
(2-Amino-benzothiazol-6-yl)-piperidin-1-yl-methanone
CID 769187
2-[(4-Aminobenzoyl)amino]-1,3-benzothiazole-6-carboxamide
CID 712274
N-(3-chlorophenyl)-1,3-benzothiazole-6-carboxamide
CID 712463
N-(4-chlorophenyl)-1,3-benzothiazole-6-carboxamide
CID 712465
N-(3-fluorophenyl)-1,3-benzothiazole-6-carboxamide
CID 712469
2-Methyl-benzothiazole-6-carboxylic acid (4-acetyl-phenyl)-amide
CID 1085966
2-(1,3-benzothiazol-2-yl)-N-tert-butylbenzamide
CID 2078423
N-(2,4-difluorophenyl)-1,3-benzothiazole-6-carboxamide
CID 2092996
N-(4-bromophenyl)-1,3-benzothiazole-6-carboxamide
CID 2093795

Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethyl)phenyl]-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-[4-(trifluoromethyl)phenyl]-1,3-benzothiazole-6-carboxamide (CID 2738140) is N-[4-(trifluoromethyl)phenyl]-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-[4-(trifluoromethyl)phenyl]-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-[4-(trifluoromethyl)phenyl]-1,3-benzothiazole-6-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc2ncsc2c1.
What is the InChIKey of N-[4-(trifluoromethyl)phenyl]-1,3-benzothiazole-6-carboxamide?
The InChIKey is QEAHKXWHLHDKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N2OS/c16-15(17,18)10-2-4-11(5-3-10)20-14(21)9-1-6-12-13(7-9)22-8-19-12/h1-8H,(H,20,21).
What are the key properties of N-[4-(trifluoromethyl)phenyl]-1,3-benzothiazole-6-carboxamide?
N-[4-(trifluoromethyl)phenyl]-1,3-benzothiazole-6-carboxamide has a molecular weight of 322.31 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethyl)phenyl]-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 2738140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).