2-(1,3-benzothiazol-2-yl)-2-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide

C17H11F3N2O2S — CID 143886097

IUPAC2-(1,3-benzothiazol-2-yl)-2-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
SMILESO=C(NCc1ccc(C(F)(F)F)cc1)C(=O)c1nc2ccccc2s1
InChIInChI=1S/C17H11F3N2O2S/c18-17(19,20)11-7-5-10(6-8-11)9-21-15(24)14(23)16-22-12-3-1-2-4-13(12)25-16/h1-8H,9H2,(H,21,24)
InChIKeyBPORFRZQYDVCBN-UHFFFAOYSA-N
MW364.35 g/mol
LogP3.81
Rot. Bonds4

About 2-(1,3-benzothiazol-2-yl)-2-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide

2-(1,3-benzothiazol-2-yl)-2-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 143886097) has the molecular formula C17H11F3N2O2S and a molecular weight of 364.35 g/mol. Its IUPAC name is 2-(1,3-benzothiazol-2-yl)-2-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(1,3-benzothiazol-2-yl)-2-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID143886097
Molecular FormulaC17H11F3N2O2S
Molecular Weight364.35 g/mol
Exact Mass364.05
IUPAC Name2-(1,3-benzothiazol-2-yl)-2-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
SMILESO=C(NCc1ccc(C(F)(F)F)cc1)C(=O)c1nc2ccccc2s1
InChIInChI=1S/C17H11F3N2O2S/c18-17(19,20)11-7-5-10(6-8-11)9-21-15(24)14(23)16-22-12-3-1-2-4-13(12)25-16/h1-8H,9H2,(H,21,24)
InChIKeyBPORFRZQYDVCBN-UHFFFAOYSA-N
XLogP3.81
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.35
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[bis(1,3-benzothiazol-2-yl)methylideneamino]-4-(trifluoromethyl)aniline
CID 21238201
N-benzyl-2-oxo-2-(6-phenyl-1,3-benzothiazol-2-yl)acetamide;molecular hydrogen
CID 143886131
1-(1,3-benzothiazol-2-yl)-2,2-difluoro-2-phenylethanone;ethane
CID 143618204
N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 22225397
3-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide
CID 56599940
1-(1,3-benzothiazol-2-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 175678594
N-[[4-(trifluoromethyl)phenyl]methyl]cyclohepta[c]pyrazole-3-carboxamide
CID 68959282
(E)-2-(1,3-benzothiazol-2-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile
CID 5348790
N-[[4-(1,3-benzothiazol-2-yl)phenyl]methylcarbamothioyl]-3-methylbutanamide
CID 3499117
2-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 102432449
N-[2-hydroxy-2-(4-phenylphenyl)propyl]-1,3-benzothiazole-2-carboxamide
CID 90497526
2-(1,3-benzothiazol-2-ylsulfanyl)-N-benzylacetamide
CID 687277

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzothiazol-2-yl)-2-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(1,3-benzothiazol-2-yl)-2-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide (CID 143886097) is 2-(1,3-benzothiazol-2-yl)-2-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(1,3-benzothiazol-2-yl)-2-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(1,3-benzothiazol-2-yl)-2-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide is O=C(NCc1ccc(C(F)(F)F)cc1)C(=O)c1nc2ccccc2s1.
What is the InChIKey of 2-(1,3-benzothiazol-2-yl)-2-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is BPORFRZQYDVCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N2O2S/c18-17(19,20)11-7-5-10(6-8-11)9-21-15(24)14(23)16-22-12-3-1-2-4-13(12)25-16/h1-8H,9H2,(H,21,24).
What are the key properties of 2-(1,3-benzothiazol-2-yl)-2-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
2-(1,3-benzothiazol-2-yl)-2-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 364.35 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzothiazol-2-yl)-2-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 143886097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).