N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]-2-(3,4,5-trimethoxyphenyl)acetamide

C19H17F3N2O5S — CID 27899321

IUPACN-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)Nc2nc3ccc(OC(F)(F)F)cc3s2)cc(OC)c1OC
InChIInChI=1S/C19H17F3N2O5S/c1-26-13-6-10(7-14(27-2)17(13)28-3)8-16(25)24-18-23-12-5-4-11(9-15(12)30-18)29-19(20,21)22/h4-7,9H,8H2,1-3H3,(H,23,24,25)
InChIKeyXFMGNNWDEWESGX-UHFFFAOYSA-N
MW442.42 g/mol
LogP4.40
Rot. Bonds7

About N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]-2-(3,4,5-trimethoxyphenyl)acetamide

N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]-2-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 27899321) has the molecular formula C19H17F3N2O5S and a molecular weight of 442.42 g/mol. Its IUPAC name is N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]-2-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]-2-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID27899321
Molecular FormulaC19H17F3N2O5S
Molecular Weight442.42 g/mol
Exact Mass442.08
IUPAC NameN-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)Nc2nc3ccc(OC(F)(F)F)cc3s2)cc(OC)c1OC
InChIInChI=1S/C19H17F3N2O5S/c1-26-13-6-10(7-14(27-2)17(13)28-3)8-16(25)24-18-23-12-5-4-11(9-15(12)30-18)29-19(20,21)22/h4-7,9H,8H2,1-3H3,(H,23,24,25)
InChIKeyXFMGNNWDEWESGX-UHFFFAOYSA-N
XLogP4.40
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.42
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
KY-02111
CID 8582409
N1-(1,3-benzothiazol-2-yl)-2-{2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)-1-ethenyl]phenoxy}acetamide
CID 60143342
N1-(1,3-benzothiazol-2-yl)-2-{2-methoxy-5-[(E)-3-oxo-3-(3,4,5-trimethoxyphenyl)-1-propenyl]phenoxy}acetamide
CID 60148068
N1-(6-fluoro-1,3-benzothiazol-2-yl)-2-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)-1-ethenyl]phenoxyacetamide
CID 60148069
N1-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]-2-2-methoxy-5-[(E)-3-oxo-3-(3,4,5-trimethoxyphenyl)-1-propenyl]phenoxyacetamide
CID 60148075
N-(1,3-benzothiazol-2-yl)-2,4-dimethoxybenzamide
CID 788928
N-(1,3-benzothiazol-2-yl)-3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzamide
CID 145965101
6-methyl-N-(2,3,4-trimethoxybenzyl)-1,3-benzothiazol-2-amine
CID 2994477
Benzothiazol-2-yl-(3,4,5-trimethoxy-benzyl)-amine
CID 6489811
N-(1,3-benzothiazol-2-yl)-3,4-dimethoxybenzamide
CID 786111
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)acetamide
CID 770971

Frequently Asked Questions

What is the IUPAC name of N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]-2-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]-2-(3,4,5-trimethoxyphenyl)acetamide (CID 27899321) is N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]-2-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]-2-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]-2-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(CC(=O)Nc2nc3ccc(OC(F)(F)F)cc3s2)cc(OC)c1OC.
What is the InChIKey of N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]-2-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is XFMGNNWDEWESGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O5S/c1-26-13-6-10(7-14(27-2)17(13)28-3)8-16(25)24-18-23-12-5-4-11(9-15(12)30-18)29-19(20,21)22/h4-7,9H,8H2,1-3H3,(H,23,24,25).
What are the key properties of N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]-2-(3,4,5-trimethoxyphenyl)acetamide?
N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]-2-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 442.42 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]-2-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 27899321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).