4-methoxy-N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]benzamide

C16H11F3N2O2S — CID 121028845

IUPAC4-methoxy-N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2nc3c(C(F)(F)F)cccc3s2)cc1
InChIInChI=1S/C16H11F3N2O2S/c1-23-10-7-5-9(6-8-10)14(22)21-15-20-13-11(16(17,18)19)3-2-4-12(13)24-15/h2-8H,1H3,(H,20,21,22)
InChIKeyFIKXDHXLAVCKDL-UHFFFAOYSA-N
MW352.34 g/mol
LogP4.58
Rot. Bonds3

About 4-methoxy-N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]benzamide

4-methoxy-N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]benzamide (PubChem CID 121028845) has the molecular formula C16H11F3N2O2S and a molecular weight of 352.34 g/mol. Its IUPAC name is 4-methoxy-N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]benzamide
PubChem CID121028845
Molecular FormulaC16H11F3N2O2S
Molecular Weight352.34 g/mol
Exact Mass352.05
IUPAC Name4-methoxy-N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2nc3c(C(F)(F)F)cccc3s2)cc1
InChIInChI=1S/C16H11F3N2O2S/c1-23-10-7-5-9(6-8-10)14(22)21-15-20-13-11(16(17,18)19)3-2-4-12(13)24-15/h2-8H,1H3,(H,20,21,22)
InChIKeyFIKXDHXLAVCKDL-UHFFFAOYSA-N
XLogP4.58
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.34
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-(4-propan-2-yl-1,3-benzothiazol-2-yl)benzamide
CID 16938400
N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide
CID 121028814
N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]-2,1,3-benzothiadiazole-5-carboxamide
CID 121028811
N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]-1,3-benzodioxole-5-carboxamide
CID 71778697
N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]prop-2-enamide
CID 154766225
N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]cyclopropanecarboxamide
CID 121028824
4-N-(4-methoxy-1,3-benzothiazol-2-yl)benzene-1,4-dicarboxamide
CID 78797293
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-methoxybenzamide
CID 7172907
N-(4-ethyl-1,3-benzothiazol-2-yl)-3,5-dimethoxybenzamide
CID 7189824
2-chloro-4-fluoro-N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]benzamide
CID 121028941
N-(4-bromo-1,3-benzothiazol-2-yl)-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121045467
N-(4-ethyl-1,3-benzothiazol-2-yl)-4-phenoxybenzamide
CID 41235427

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]benzamide?
The IUPAC name of 4-methoxy-N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]benzamide (CID 121028845) is 4-methoxy-N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]benzamide.
What is the SMILES notation for 4-methoxy-N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]benzamide?
The canonical SMILES for 4-methoxy-N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]benzamide is COc1ccc(C(=O)Nc2nc3c(C(F)(F)F)cccc3s2)cc1.
What is the InChIKey of 4-methoxy-N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]benzamide?
The InChIKey is FIKXDHXLAVCKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O2S/c1-23-10-7-5-9(6-8-10)14(22)21-15-20-13-11(16(17,18)19)3-2-4-12(13)24-15/h2-8H,1H3,(H,20,21,22).
What are the key properties of 4-methoxy-N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]benzamide?
4-methoxy-N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]benzamide has a molecular weight of 352.34 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]benzamide is sourced from PubChem (CID 121028845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).