N-(2-propyl-1,3-benzothiazol-6-yl)-3-(trifluoromethyl)benzamide

C18H15F3N2OS — CID 30152590

IUPACN-(2-propyl-1,3-benzothiazol-6-yl)-3-(trifluoromethyl)benzamide
SMILESCCCc1nc2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2s1
InChIInChI=1S/C18H15F3N2OS/c1-2-4-16-23-14-8-7-13(10-15(14)25-16)22-17(24)11-5-3-6-12(9-11)18(19,20)21/h3,5-10H,2,4H2,1H3,(H,22,24)
InChIKeyAQMUTUSJTSQNLH-UHFFFAOYSA-N
MW364.39 g/mol
LogP5.52
Rot. Bonds4

About N-(2-propyl-1,3-benzothiazol-6-yl)-3-(trifluoromethyl)benzamide

N-(2-propyl-1,3-benzothiazol-6-yl)-3-(trifluoromethyl)benzamide (PubChem CID 30152590) has the molecular formula C18H15F3N2OS and a molecular weight of 364.39 g/mol. Its IUPAC name is N-(2-propyl-1,3-benzothiazol-6-yl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2-propyl-1,3-benzothiazol-6-yl)-3-(trifluoromethyl)benzamide
PubChem CID30152590
Molecular FormulaC18H15F3N2OS
Molecular Weight364.39 g/mol
Exact Mass364.09
IUPAC NameN-(2-propyl-1,3-benzothiazol-6-yl)-3-(trifluoromethyl)benzamide
SMILESCCCc1nc2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2s1
InChIInChI=1S/C18H15F3N2OS/c1-2-4-16-23-14-8-7-13(10-15(14)25-16)22-17(24)11-5-3-6-12(9-11)18(19,20)21/h3,5-10H,2,4H2,1H3,(H,22,24)
InChIKeyAQMUTUSJTSQNLH-UHFFFAOYSA-N
XLogP5.52
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.39
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide
CID 2374848
N-[2-(6-hydroxy-1,3-benzothiazol-2-yl)ethyl]-3-(trifluoromethyl)benzamide
CID 57207970
2-amino-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-1,3-benzothiazole-6-carboxamide
CID 25151133
N-(2-ethyl-1,3-benzothiazol-6-yl)-2-(trifluoromethyl)benzamide
CID 30152626
N-(4-ethylphenyl)-3-(trifluoromethyl)benzamide
CID 2684380
N-[3-[(2-amino-2-methylpentanoyl)amino]phenyl]-3-(trifluoromethyl)benzamide
CID 119776002
N-(2-methyl-1,3-benzoxazol-5-yl)-3-(trifluoromethyl)benzamide
CID 34303593
3-methyl-4-propyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 165142528
N-[4-chloro-3-(methylamino)phenyl]-3-(trifluoromethyl)benzamide
CID 143609640
N-[3-(diethylcarbamoyl)phenyl]-3-(trifluoromethyl)benzamide
CID 17435315
2-[(4,6-dichloropyrimidin-2-yl)amino]-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-1,3-benzothiazole-6-carboxamide
CID 89230533
N-(2-acetamido-1,3-benzothiazol-6-yl)-3-(ethylsulfamoyl)benzamide
CID 55768437

Frequently Asked Questions

What is the IUPAC name of N-(2-propyl-1,3-benzothiazol-6-yl)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(2-propyl-1,3-benzothiazol-6-yl)-3-(trifluoromethyl)benzamide (CID 30152590) is N-(2-propyl-1,3-benzothiazol-6-yl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2-propyl-1,3-benzothiazol-6-yl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(2-propyl-1,3-benzothiazol-6-yl)-3-(trifluoromethyl)benzamide is CCCc1nc2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2s1.
What is the InChIKey of N-(2-propyl-1,3-benzothiazol-6-yl)-3-(trifluoromethyl)benzamide?
The InChIKey is AQMUTUSJTSQNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2OS/c1-2-4-16-23-14-8-7-13(10-15(14)25-16)22-17(24)11-5-3-6-12(9-11)18(19,20)21/h3,5-10H,2,4H2,1H3,(H,22,24).
What are the key properties of N-(2-propyl-1,3-benzothiazol-6-yl)-3-(trifluoromethyl)benzamide?
N-(2-propyl-1,3-benzothiazol-6-yl)-3-(trifluoromethyl)benzamide has a molecular weight of 364.39 g/mol, XLogP of 5.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propyl-1,3-benzothiazol-6-yl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 30152590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).