2-(3-methoxyphenyl)-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide

C17H13F3N2O2S — CID 77106466

IUPAC2-(3-methoxyphenyl)-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide
SMILESCOc1cccc(CC(=O)Nc2nc3ccc(C(F)(F)F)cc3s2)c1
InChIInChI=1S/C17H13F3N2O2S/c1-24-12-4-2-3-10(7-12)8-15(23)22-16-21-13-6-5-11(17(18,19)20)9-14(13)25-16/h2-7,9H,8H2,1H3,(H,21,22,23)
InChIKeyBSYSLYHIEAROBS-UHFFFAOYSA-N
MW366.36 g/mol
LogP4.50
Rot. Bonds4

About 2-(3-methoxyphenyl)-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide

2-(3-methoxyphenyl)-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide (PubChem CID 77106466) has the molecular formula C17H13F3N2O2S and a molecular weight of 366.36 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide
PubChem CID77106466
Molecular FormulaC17H13F3N2O2S
Molecular Weight366.36 g/mol
Exact Mass366.06
IUPAC Name2-(3-methoxyphenyl)-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide
SMILESCOc1cccc(CC(=O)Nc2nc3ccc(C(F)(F)F)cc3s2)c1
InChIInChI=1S/C17H13F3N2O2S/c1-24-12-4-2-3-10(7-12)8-15(23)22-16-21-13-6-5-11(17(18,19)20)9-14(13)25-16/h2-7,9H,8H2,1H3,(H,21,22,23)
InChIKeyBSYSLYHIEAROBS-UHFFFAOYSA-N
XLogP4.50
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.36
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide?
The IUPAC name of 2-(3-methoxyphenyl)-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide (CID 77106466) is 2-(3-methoxyphenyl)-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide?
The canonical SMILES for 2-(3-methoxyphenyl)-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide is COc1cccc(CC(=O)Nc2nc3ccc(C(F)(F)F)cc3s2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide?
The InChIKey is BSYSLYHIEAROBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O2S/c1-24-12-4-2-3-10(7-12)8-15(23)22-16-21-13-6-5-11(17(18,19)20)9-14(13)25-16/h2-7,9H,8H2,1H3,(H,21,22,23).
What are the key properties of 2-(3-methoxyphenyl)-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide?
2-(3-methoxyphenyl)-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide has a molecular weight of 366.36 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide is sourced from PubChem (CID 77106466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).