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

C17H13F3N2O2S — CID 35848386

IUPACN-(1,3-benzothiazol-2-yl)-4-(2,2,2-trifluoroethoxymethyl)benzamide
SMILESO=C(Nc1nc2ccccc2s1)c1ccc(COCC(F)(F)F)cc1
InChIInChI=1S/C17H13F3N2O2S/c18-17(19,20)10-24-9-11-5-7-12(8-6-11)15(23)22-16-21-13-3-1-2-4-14(13)25-16/h1-8H,9-10H2,(H,21,22,23)
InChIKeyXALVGWDXBOQNTO-UHFFFAOYSA-N
MW366.36 g/mol
LogP4.63
Rot. Bonds5

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

N-(1,3-benzothiazol-2-yl)-4-(2,2,2-trifluoroethoxymethyl)benzamide (PubChem CID 35848386) has the molecular formula C17H13F3N2O2S and a molecular weight of 366.36 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-4-(2,2,2-trifluoroethoxymethyl)benzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-4-(2,2,2-trifluoroethoxymethyl)benzamide
PubChem CID35848386
Molecular FormulaC17H13F3N2O2S
Molecular Weight366.36 g/mol
Exact Mass366.06
IUPAC NameN-(1,3-benzothiazol-2-yl)-4-(2,2,2-trifluoroethoxymethyl)benzamide
SMILESO=C(Nc1nc2ccccc2s1)c1ccc(COCC(F)(F)F)cc1
InChIInChI=1S/C17H13F3N2O2S/c18-17(19,20)10-24-9-11-5-7-12(8-6-11)15(23)22-16-21-13-3-1-2-4-14(13)25-16/h1-8H,9-10H2,(H,21,22,23)
InChIKeyXALVGWDXBOQNTO-UHFFFAOYSA-N
XLogP4.63
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.36
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-2-yl)-4-(bromomethyl)benzamide
CID 102850815
N-(1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide
CID 833754
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 18151175
N-(1,3-benzothiazol-2-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 46508382
N-[4-(2,2,2-trifluoroethoxymethyl)phenyl]-1,2,3-benzothiadiazole-5-carboxamide
CID 46261955
2-benzamido-1,3-benzothiazole-6-carboxylic acid
CID 19622650
N-(1,3-benzothiazol-2-yl)-3,4,5-triethoxybenzamide
CID 4233786
2-[[4-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 46451358
N-(1,3-benzothiazol-2-yl)-4-(1,3-dithiolan-2-yl)benzamide
CID 8882679
N-(1,3-benzothiazol-2-yl)-4-propan-2-ylsulfanylbenzamide
CID 8701123
N-(1,3-benzothiazol-2-yl)-3-(chloromethyl)benzamide
CID 43156362
N-(1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide
CID 86264452

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-4-(2,2,2-trifluoroethoxymethyl)benzamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-4-(2,2,2-trifluoroethoxymethyl)benzamide (CID 35848386) is N-(1,3-benzothiazol-2-yl)-4-(2,2,2-trifluoroethoxymethyl)benzamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-4-(2,2,2-trifluoroethoxymethyl)benzamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-4-(2,2,2-trifluoroethoxymethyl)benzamide is O=C(Nc1nc2ccccc2s1)c1ccc(COCC(F)(F)F)cc1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-4-(2,2,2-trifluoroethoxymethyl)benzamide?
The InChIKey is XALVGWDXBOQNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O2S/c18-17(19,20)10-24-9-11-5-7-12(8-6-11)15(23)22-16-21-13-3-1-2-4-14(13)25-16/h1-8H,9-10H2,(H,21,22,23).
What are the key properties of N-(1,3-benzothiazol-2-yl)-4-(2,2,2-trifluoroethoxymethyl)benzamide?
N-(1,3-benzothiazol-2-yl)-4-(2,2,2-trifluoroethoxymethyl)benzamide has a molecular weight of 366.36 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-4-(2,2,2-trifluoroethoxymethyl)benzamide is sourced from PubChem (CID 35848386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).